5-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-3-(phenylmethyl)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 5-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-3-(phenylmethyl)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-benzyl-5-[1-(4-methoxyphenyl)sulfonyl-3-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 5-[1-(4-methoxyphenyl)sulfonyl-3-piperidinyl]-3-(phenylmethyl)-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-benzyl-5-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-benzyl-5-[1-(4-methoxyphenyl)sulfonyl-3-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C23H24N6O4S MolecularWeight: 480.53946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=NC(=O)C4=NNN(C4=N3)CC5=CC=CC=C5

InChI

InChI=1S/C23H24N6O4S/c1-33-18-9-11-19(12-10-18)34(31,32)28-13-5-8-17(15-28)21-24-22-20(23(30)25-21)26-27-29(22)14-16-6-3-2-4-7-16/h2-4,6-7,9-12,17,27H,5,8,13-15H2,1H3