2-(3-aminophenyl)-7-(phenylmethyl)-3H-purin-6-one hydrochloride

Systemtic Name: 2-(3-aminophenyl)-7-(phenylmethyl)-3H-purin-6-one hydrochloride Openeye Name: 2-(3-aminophenyl)-7-benzyl-3H-purin-6-one hydrochloride CAS Name: 2-(3-aminophenyl)-7-(phenylmethyl)-3H-purin-6-one hydrochloride IUPAC Name: 2-(3-aminophenyl)-7-benzyl-3H-purin-6-one hydrochloride Traditional Name: 2-(3-aminophenyl)-7-benzyl-3H-purin-6-one hydrochloride Formula: C18H16ClN5O MolecularWeight: 353.80554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)C4=CC(=CC=C4)N.Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N=C(N3)C4=CC(=CC=C4)N.Cl

InChI

InChI=1S/C18H15N5O.ClH/c19-14-8-4-7-13(9-14)16-21-17-15(18(24)22-16)23(11-20-17)10-12-5-2-1-3-6-12;/h1-9,11H,10,19H2,(H,21,22,24);1H