CHEBI:109006 - 5-[1-(2,5-dimethylphenyl)sulfonyl-4-piperidinyl]-3-[(4-methylphenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one

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ChEBI Name 5-[1-(2,5-dimethylphenyl)sulfonyl-4-piperidinyl]-3-[(4-methylphenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one
ChEBI ID CHEBI:109006
Stars This entity has been manually annotated by a third party.
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Formula C25H28N6O3S
Net Charge 0
Average Mass 492.595
Monoisotopic Mass 492.19436
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
SMILES CC1=CC=C(C=C1)CN2C3=NC(=NC(=O)C3=NN2)C4CCN(CC4)S(=O)(=O)C5=C(C=CC(=C5)C)C
ChEBI Ontology
Outgoing 5-[1-(2,5-dimethylphenyl)sulfonyl-4-piperidinyl]-3-[(4-methylphenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one (CHEBI:109006) is a sulfonamide (CHEBI:35358)
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