8-azanyl-2-[3-(phenylmethyl)phenyl]purin-6-one

Systemtic Name: 8-azanyl-2-[3-(phenylmethyl)phenyl]purin-6-one Openeye Name: 8-amino-2-(3-benzylphenyl)purin-6-one CAS Name: 8-amino-2-[3-(phenylmethyl)phenyl]-6-purinone IUPAC Name: 8-amino-2-(3-benzylphenyl)purin-6-one Traditional Name: 8-amino-2-(3-benzylphenyl)purin-6-one Formula: C18H13N5O MolecularWeight: 315.32872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC(=C2)C3=NC(=O)C4=NC(=NC4=N3)N

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC(=C2)C3=NC(=O)C4=NC(=NC4=N3)N

InChI

InChI=1S/C18H13N5O/c19-18-20-14-16(23-18)21-15(22-17(14)24)13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H2,19,21,22,23,24)