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

Systemtic Name: 7-(2-hydroxyethyl)-3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione Openeye Name: 7-(2-hydroxyethyl)-3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylene]hydrazino]purine-2,6-dione CAS Name: 7-(2-hydroxyethyl)-3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 7-(2-hydroxyethyl)-3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]purine-2,6-dione Traditional Name: 7-(2-hydroxyethyl)-3-methyl-8-[(N'E)-N'-(3-nitrobenzylidene)hydrazino]xanthine Formula: C15H15N7O5 MolecularWeight: 373.3235

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN=CC3=CC(=CC=C3)[N+](=O)[O-])CCO

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N/N=C/C3=CC(=CC=C3)[N+](=O)[O-])CCO

InChI

InChI=1S/C15H15N7O5/c1-20-12-11(13(24)18-15(20)25)21(5-6-23)14(17-12)19-16-8-9-3-2-4-10(7-9)22(26)27/h2-4,7-8,23H,5-6H2,1H3,(H,17,19)(H,18,24,25)/b16-8+