2-[(phenylmethyl)amino]-3H-purine-6,8-dione

Systemtic Name: 2-[(phenylmethyl)amino]-3H-purine-6,8-dione Openeye Name: 2-(benzylamino)-3H-purine-6,8-dione CAS Name: 2-[(phenylmethyl)amino]-3H-purine-6,8-dione IUPAC Name: 2-(benzylamino)-3H-purine-6,8-dione Traditional Name: 2-(benzylamino)-3H-purine-6,8-quinone Formula: C12H9N5O2 MolecularWeight: 255.23216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=O)C3=NC(=O)N=C3N2

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=O)C3=NC(=O)N=C3N2

InChI

InChI=1S/C12H9N5O2/c18-10-8-9(16-12(19)14-8)15-11(17-10)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,13,15,16,17,18,19)