skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > sulfonamide > 5-[1-(2,5-dimethylphenyl)sulfonyl-4-piperidinyl]-3-[(4-methylphenyl)methyl]-2h-triazolo[4,5-d]pyrimidin-7-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > 5-[1-(2,5-dimethylphenyl)sulfonyl-4-piperidinyl]-3-[(4-methylphenyl)methyl]-2h-triazolo[4,5-d]pyrimidin-7-one
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfonic acid derivative > sulfonamide > 5-[1-(2,5-dimethylphenyl)sulfonyl-4-piperidinyl]-3-[(4-methylphenyl)methyl]-2h-triazolo[4,5-d]pyrimidin-7-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > sulfonamide > 5-[1-(2,5-dimethylphenyl)sulfonyl-4-piperidinyl]-3-[(4-methylphenyl)methyl]-2h-triazolo[4,5-d]pyrimidin-7-one

Preferred term

5-[1-(2,5-dimethylphenyl)sulfonyl-4-piperidinyl]-3-[(4-methylphenyl)methyl]-2h-triazolo[4,5-d]pyrimidin-7-one  

Type

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

Broader concept

charge

  • 0

formula

  • C25H28N6O3S

inchi

  • InChI=1S/C25H28N6O3S/c1-16-5-8-19(9-6-16)15-31-24-22(28-29-31)25(32)27-23(26-24)20-10-12-30(13-11-20)35(33,34)21-14-17(2)4-7-18(21)3/h4-9,14,20,29H,10-13,15H2,1-3H3

inchikey

  • NNXKBDZLHQVXPD-UHFFFAOYSA-N

mass

  • 492.595

monoisotopicmass

  • 492.19436

smiles

  • CC1=CC=C(C=C1)CN2C3=NC(=NC(=O)C3=NN2)C4CCN(CC4)S(=O)(=O)C5=C(C=CC(=C5)C)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:109006

Download this concept:

RDF/XML TURTLE JSON-LD