7-butyl-3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione

Systemtic Name: 7-butyl-3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione Openeye Name: 7-butyl-3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylene]hydrazino]purine-2,6-dione CAS Name: 7-butyl-3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 7-butyl-3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione Traditional Name: 7-butyl-3-methyl-8-[(N'E)-N'-(3-nitrobenzylidene)hydrazino]xanthine Formula: C17H19N7O4 MolecularWeight: 385.37726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1NN=CC3=CC(=CC=C3)[N+](=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CCCCN1C2=C(N=C1N/N=C/C3=CC(=CC=C3)[N+](=O)[O-])N(C(=O)NC2=O)C

InChI

InChI=1S/C17H19N7O4/c1-3-4-8-23-13-14(22(2)17(26)20-15(13)25)19-16(23)21-18-10-11-6-5-7-12(9-11)24(27)28/h5-7,9-10H,3-4,8H2,1-2H3,(H,19,21)(H,20,25,26)/b18-10+