8-azanyl-3-methyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-azanyl-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 8-amino-7-benzyl-3-methyl-purine-2,6-dione CAS Name: 8-amino-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 8-amino-7-benzyl-3-methylpurine-2,6-dione Traditional Name: 8-amino-7-benzyl-3-methyl-xanthine Formula: C13H13N5O2 MolecularWeight: 271.27462

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N)CC3=CC=CC=C3

InChI

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