1,3-dimethyl-8-nitro-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-nitro-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-8-nitro-purine-2,6-dione CAS Name: 1,3-dimethyl-8-nitro-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-nitropurine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-nitro-xanthine Formula: C14H13N5O4 MolecularWeight: 315.28412

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C14H13N5O4/c1-16-11-10(12(20)17(2)14(16)21)18(13(15-11)19(22)23)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3