3-[[2,6-bis(chloranyl)phenyl]methyl]-5-(1-cyclopropylcarbonylpiperidin-3-yl)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 3-[[2,6-bis(chloranyl)phenyl]methyl]-5-(1-cyclopropylcarbonylpiperidin-3-yl)-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 5-[1-(cyclopropanecarbonyl)-3-piperidyl]-3-[(2,6-dichlorophenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 5-[1-[cyclopropyl(oxo)methyl]-3-piperidinyl]-3-[(2,6-dichlorophenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 5-[1-(cyclopropanecarbonyl)piperidin-3-yl]-3-[(2,6-dichlorophenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 5-[1-(cyclopropanecarbonyl)-3-piperidyl]-3-(2,6-dichlorobenzyl)-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C20H20Cl2N6O2 MolecularWeight: 447.3178

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2CC2)C3=NC(=O)C4=NNN(C4=N3)CC5=C(C=CC=C5Cl)Cl

Isomeric SMILES

C1CC(CN(C1)C(=O)C2CC2)C3=NC(=O)C4=NNN(C4=N3)CC5=C(C=CC=C5Cl)Cl

InChI

InChI=1S/C20H20Cl2N6O2/c21-14-4-1-5-15(22)13(14)10-28-18-16(25-26-28)19(29)24-17(23-18)12-3-2-8-27(9-12)20(30)11-6-7-11/h1,4-5,11-12,26H,2-3,6-10H2