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

Systemtic Name: 3-[(2,4-dichlorophenyl)methyl]-5-[1-(2-methylpropanoyl)piperidin-4-yl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-[(2,4-dichlorophenyl)methyl]-5-[1-(2-methylpropanoyl)-4-piperidyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 3-[(2,4-dichlorophenyl)methyl]-5-[1-(2-methyl-1-oxopropyl)-4-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 3-[(2,4-dichlorophenyl)methyl]-5-[1-(2-methylpropanoyl)piperidin-4-yl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-(2,4-dichlorobenzyl)-5-(1-isobutyryl-4-piperidyl)-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C20H22Cl2N6O2 MolecularWeight: 449.33368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC(CC1)C2=NC(=O)C3=NNN(C3=N2)CC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC(C)C(=O)N1CCC(CC1)C2=NC(=O)C3=NNN(C3=N2)CC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H22Cl2N6O2/c1-11(2)20(30)27-7-5-12(6-8-27)17-23-18-16(19(29)24-17)25-26-28(18)10-13-3-4-14(21)9-15(13)22/h3-4,9,11-12,26H,5-8,10H2,1-2H3