1,3-dimethyl-8-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-1,3-dimethyl-8-[(2E)-2-[(4-nitrophenyl)methylene]hydrazino]purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-7-prop-2-enylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-1,3-dimethyl-8-[(N'E)-N'-(4-nitrobenzylidene)hydrazino]xanthine Formula: C17H17N7O4 MolecularWeight: 383.36138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N7O4/c1-4-9-23-13-14(21(2)17(26)22(3)15(13)25)19-16(23)20-18-10-11-5-7-12(8-6-11)24(27)28/h4-8,10H,1,9H2,2-3H3,(H,19,20)/b18-10+