2-ethyl-7-[phenyl-[4-(1,2,3,4-tetrazol-2-yl)phenyl]methyl]-3H-purin-6-one

Systemtic Name: 2-ethyl-7-[phenyl-[4-(1,2,3,4-tetrazol-2-yl)phenyl]methyl]-3H-purin-6-one Openeye Name: 2-ethyl-7-[phenyl-[4-(tetrazol-2-yl)phenyl]methyl]-3H-purin-6-one CAS Name: 2-ethyl-7-[phenyl-[4-(2-tetrazolyl)phenyl]methyl]-3H-purin-6-one IUPAC Name: 2-ethyl-7-[phenyl-[4-(tetrazol-2-yl)phenyl]methyl]-3H-purin-6-one Traditional Name: 2-ethyl-7-[phenyl-[4-(tetrazol-2-yl)phenyl]methyl]-3H-purin-6-one Formula: C21H18N8O MolecularWeight: 398.42062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=O)C2=C(N1)N=CN2C(C3=CC=CC=C3)C4=CC=C(C=C4)N5N=CN=N5

Isomeric SMILES

CCC1=NC(=O)C2=C(N1)N=CN2C(C3=CC=CC=C3)C4=CC=C(C=C4)N5N=CN=N5

InChI

InChI=1S/C21H18N8O/c1-2-17-25-20-19(21(30)26-17)28(13-22-20)18(14-6-4-3-5-7-14)15-8-10-16(11-9-15)29-24-12-23-27-29/h3-13,18H,2H2,1H3,(H,25,26,30)