3-methyl-8-[(phenylmethyl)amino]-7H-purine-2,6-dione

Systemtic Name: 3-methyl-8-[(phenylmethyl)amino]-7H-purine-2,6-dione Openeye Name: 8-(benzylamino)-3-methyl-7H-purine-2,6-dione CAS Name: 3-methyl-8-[(phenylmethyl)amino]-7H-purine-2,6-dione IUPAC Name: 8-(benzylamino)-3-methyl-7H-purine-2,6-dione Traditional Name: 8-(benzylamino)-3-methyl-7H-purine-2,6-quinone Formula: C13H13N5O2 MolecularWeight: 271.27462

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)NC(=N2)NCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)NC(=N2)NCC3=CC=CC=C3

InChI

InChI=1S/C13H13N5O2/c1-18-10-9(11(19)17-13(18)20)15-12(16-10)14-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,14,15,16)(H,17,19,20)