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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > piperazines > 7-[4-[4-(2,5-dimethylphenyl)-1-piperazinyl]-4-oxobutyl]-6-sulfanylidene-5h-[1,3]dioxolo[4,5-g]quinazolin-8-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > piperazines > 7-[4-[4-(2,5-dimethylphenyl)-1-piperazinyl]-4-oxobutyl]-6-sulfanylidene-5h-[1,3]dioxolo[4,5-g]quinazolin-8-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > piperazines > 7-[4-[4-(2,5-dimethylphenyl)-1-piperazinyl]-4-oxobutyl]-6-sulfanylidene-5h-[1,3]dioxolo[4,5-g]quinazolin-8-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > piperazines > 7-[4-[4-(2,5-dimethylphenyl)-1-piperazinyl]-4-oxobutyl]-6-sulfanylidene-5h-[1,3]dioxolo[4,5-g]quinazolin-8-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > piperazines > 7-[4-[4-(2,5-dimethylphenyl)-1-piperazinyl]-4-oxobutyl]-6-sulfanylidene-5h-[1,3]dioxolo[4,5-g]quinazolin-8-one

Preferred term

7-[4-[4-(2,5-dimethylphenyl)-1-piperazinyl]-4-oxobutyl]-6-sulfanylidene-5h-[1,3]dioxolo[4,5-g]quinazolin-8-one  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C25H28N4O4S

inchi

  • InChI=1S/C25H28N4O4S/c1-16-5-6-17(2)20(12-16)27-8-10-28(11-9-27)23(30)4-3-7-29-24(31)18-13-21-22(33-15-32-21)14-19(18)26-25(29)34/h5-6,12-14H,3-4,7-11,15H2,1-2H3,(H,26,34)

inchikey

  • COLKKSSIWGXVIR-UHFFFAOYSA-N

mass

  • 480.581

monoisotopicmass

  • 480.18313

smiles

  • CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CCCN3C(=O)C4=CC5=C(C=C4NC3=S)OCO5

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:111384

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