3-[(4-chlorophenyl)methyl]-6-[(3-nitrophenyl)methyl]-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

Systemtic Name: 3-[(4-chlorophenyl)methyl]-6-[(3-nitrophenyl)methyl]-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3-[(4-chlorophenyl)methyl]-6-[(3-nitrophenyl)methyl]triazolo[4,5-d]pyrimidin-7-one CAS Name: 3-[(4-chlorophenyl)methyl]-6-[(3-nitrophenyl)methyl]-7-triazolo[4,5-d]pyrimidinone IUPAC Name: 3-[(4-chlorophenyl)methyl]-6-[(3-nitrophenyl)methyl]triazolo[4,5-d]pyrimidin-7-one Traditional Name: 3-(4-chlorobenzyl)-6-(3-nitrobenzyl)triazolo[4,5-d]pyrimidin-7-one Formula: C18H13ClN6O3 MolecularWeight: 396.78722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=NC3=C(C2=O)N=NN3CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=NC3=C(C2=O)N=NN3CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H13ClN6O3/c19-14-6-4-12(5-7-14)10-24-17-16(21-22-24)18(26)23(11-20-17)9-13-2-1-3-15(8-13)25(27)28/h1-8,11H,9-10H2