2-[[5-(3-methylphenyl)-1,2,3,4-tetrazol-2-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[5-(3-methylphenyl)-1,2,3,4-tetrazol-2-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-(m-tolyl)tetrazol-2-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[5-(3-methylphenyl)-2-tetrazolyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-(3-methylphenyl)tetrazol-2-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[5-(m-tolyl)tetrazol-2-yl]methyl]-1H-quinazolin-4-one Formula: C17H14N6O MolecularWeight: 318.33266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(N=N2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(N=N2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C17H14N6O/c1-11-5-4-6-12(9-11)16-20-22-23(21-16)10-15-18-14-8-3-2-7-13(14)17(24)19-15/h2-9H,10H2,1H3,(H,18,19,24)