5-[1-[(E)-but-2-enoyl]piperidin-4-yl]-3-[(2-chlorophenyl)methyl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 5-[1-[(E)-but-2-enoyl]piperidin-4-yl]-3-[(2-chlorophenyl)methyl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 5-[1-[(E)-but-2-enoyl]-4-piperidyl]-3-[(2-chlorophenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one CAS Name: 3-[(2-chlorophenyl)methyl]-5-[1-[(E)-1-oxobut-2-enyl]-4-piperidinyl]-2H-triazolo[4,5-d]pyrimidin-7-one IUPAC Name: 5-[1-[(E)-but-2-enoyl]piperidin-4-yl]-3-[(2-chlorophenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one Traditional Name: 5-[1-[(E)-but-2-enoyl]-4-piperidyl]-3-(2-chlorobenzyl)-2H-triazolo[4,5-d]pyrimidin-7-one Formula: C20H21ClN6O2 MolecularWeight: 412.87274

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)N1CCC(CC1)C2=NC(=O)C3=NNN(C3=N2)CC4=CC=CC=C4Cl

Isomeric SMILES

C/C=C/C(=O)N1CCC(CC1)C2=NC(=O)C3=NNN(C3=N2)CC4=CC=CC=C4Cl

InChI

InChI=1S/C20H21ClN6O2/c1-2-5-16(28)26-10-8-13(9-11-26)18-22-19-17(20(29)23-18)24-25-27(19)12-14-6-3-4-7-15(14)21/h2-7,13,25H,8-12H2,1H3/b5-2+