2-[[4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]-1H-pyrimidin-6-one

Systemtic Name: 2-[[4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]-1H-pyrimidin-6-one Openeye Name: 2-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-1H-pyrimidin-6-one CAS Name: 2-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-1H-pyrimidin-6-one IUPAC Name: 2-[[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]methyl]-1H-pyrimidin-6-one Traditional Name: 2-[4-phenyl-3-(2H-tetrazol-5-yl)benzyl]-1H-pyrimidin-6-one Formula: C18H14N6O MolecularWeight: 330.34336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=C(C=C2)CC3=NC=CC(=O)N3)C4=NNN=N4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C(C=C2)CC3=NC=CC(=O)N3)C4=NNN=N4

InChI

InChI=1S/C18H14N6O/c25-17-8-9-19-16(20-17)11-12-6-7-14(13-4-2-1-3-5-13)15(10-12)18-21-23-24-22-18/h1-10H,11H2,(H,19,20,25)(H,21,22,23,24)