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

Systemtic Name: 3-[(2,4-dichlorophenyl)methyl]-5-[1-(2-methylphenyl)carbonylpiperidin-3-yl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-[(2,4-dichlorophenyl)methyl]-5-[1-(2-methylbenzoyl)-3-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 3-[(2,4-dichlorophenyl)methyl]-5-[1-[(2-methylphenyl)-oxomethyl]-3-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-[(2,4-dichlorophenyl)methyl]-5-[1-(2-methylbenzoyl)piperidin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-(2,4-dichlorobenzyl)-5-(1-o-toluoyl-3-piperidyl)-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C24H22Cl2N6O2 MolecularWeight: 497.37648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCCC(C2)C3=NC(=O)C4=NNN(C4=N3)CC5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCCC(C2)C3=NC(=O)C4=NNN(C4=N3)CC5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C24H22Cl2N6O2/c1-14-5-2-3-7-18(14)24(34)31-10-4-6-16(12-31)21-27-22-20(23(33)28-21)29-30-32(22)13-15-8-9-17(25)11-19(15)26/h2-3,5,7-9,11,16,30H,4,6,10,12-13H2,1H3