8-(dimethylamino)-1,3-dimethyl-7-(4-nitrophenyl)carbonyl-purine-2,6-dione

Systemtic Name: 8-(dimethylamino)-1,3-dimethyl-7-(4-nitrophenyl)carbonyl-purine-2,6-dione Openeye Name: 8-(dimethylamino)-1,3-dimethyl-7-(4-nitrobenzoyl)purine-2,6-dione CAS Name: 8-(dimethylamino)-1,3-dimethyl-7-[(4-nitrophenyl)-oxomethyl]purine-2,6-dione IUPAC Name: 8-(dimethylamino)-1,3-dimethyl-7-(4-nitrobenzoyl)purine-2,6-dione Traditional Name: 8-(dimethylamino)-1,3-dimethyl-7-(4-nitrobenzoyl)xanthine Formula: C16H16N6O5 MolecularWeight: 372.33544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N6O5/c1-18(2)15-17-12-11(14(24)20(4)16(25)19(12)3)21(15)13(23)9-5-7-10(8-6-9)22(26)27/h5-8H,1-4H3