3-[(4-methylphenyl)methyl]-5-(1-methylsulfonylpiperidin-3-yl)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 3-[(4-methylphenyl)methyl]-5-(1-methylsulfonylpiperidin-3-yl)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 5-(1-methylsulfonyl-3-piperidyl)-3-(p-tolylmethyl)-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 3-[(4-methylphenyl)methyl]-5-(1-methylsulfonyl-3-piperidinyl)-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-[(4-methylphenyl)methyl]-5-(1-methylsulfonylpiperidin-3-yl)-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 5-(1-mesyl-3-piperidyl)-3-(4-methylbenzyl)-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C18H22N6O3S MolecularWeight: 402.47068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=NC(=NC(=O)C3=NN2)C4CCCN(C4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=NC(=NC(=O)C3=NN2)C4CCCN(C4)S(=O)(=O)C

InChI

InChI=1S/C18H22N6O3S/c1-12-5-7-13(8-6-12)10-24-17-15(21-22-24)18(25)20-16(19-17)14-4-3-9-23(11-14)28(2,26)27/h5-8,14,22H,3-4,9-11H2,1-2H3