1-methyl-9-(phenylmethyl)-7H-purine-6,8-dione

Systemtic Name: 1-methyl-9-(phenylmethyl)-7H-purine-6,8-dione Openeye Name: 9-benzyl-1-methyl-7H-purine-6,8-dione CAS Name: 1-methyl-9-(phenylmethyl)-7H-purine-6,8-dione IUPAC Name: 9-benzyl-1-methyl-7H-purine-6,8-dione Traditional Name: 9-benzyl-1-methyl-7H-purine-6,8-quinone Formula: C13H12N4O2 MolecularWeight: 256.25998

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C(C1=O)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CN1C=NC2=C(C1=O)NC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C13H12N4O2/c1-16-8-14-11-10(12(16)18)15-13(19)17(11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,15,19)