1,3,7-trimethyl-8-[(3-nitrophenyl)methylideneamino]purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-[(3-nitrophenyl)methylideneamino]purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[(3-nitrophenyl)methyleneamino]purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[(3-nitrophenyl)methylideneamino]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[(3-nitrophenyl)methylideneamino]purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-[(3-nitrobenzylidene)amino]xanthine Formula: C15H14N6O4 MolecularWeight: 342.30946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N=CC3=CC(=CC=C3)[N+](=O)[O-])N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1N=CC3=CC(=CC=C3)[N+](=O)[O-])N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H14N6O4/c1-18-11-12(19(2)15(23)20(3)13(11)22)17-14(18)16-8-9-5-4-6-10(7-9)21(24)25/h4-8H,1-3H3