1,3-dimethyl-7-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-(4-methyl-3-nitro-phenyl)ethyl]-1,3-dimethyl-xanthine Formula: C16H15N5O5 MolecularWeight: 357.3208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O5/c1-9-4-5-10(6-11(9)21(25)26)12(22)7-20-8-17-14-13(20)15(23)19(3)16(24)18(14)2/h4-6,8H,7H2,1-3H3