3-methyl-9-(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-methyl-9-(phenylmethyl)purine-2,6-dione Openeye Name: 9-benzyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-9-(phenylmethyl)purine-2,6-dione IUPAC Name: 9-benzyl-3-methylpurine-2,6-dione Traditional Name: 9-benzyl-3-methyl-xanthine Formula: C13H12N4O2 MolecularWeight: 256.25998

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N=CN2CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N=CN2CC3=CC=CC=C3

InChI

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