7-heptyl-3-methyl-8-[(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione

Systemtic Name: 7-heptyl-3-methyl-8-[(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione Openeye Name: 7-heptyl-3-methyl-8-[(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazino]purine-2,6-dione CAS Name: 7-heptyl-3-methyl-8-[(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 7-heptyl-3-methyl-8-[(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]purine-2,6-dione Traditional Name: 7-heptyl-3-methyl-8-[(N'E)-N'-[1-(4-nitrophenyl)ethylidene]hydrazino]xanthine Formula: C21H27N7O4 MolecularWeight: 441.48358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1NN=C(C)C3=CC=C(C=C3)[N+](=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1N/N=C(\C)/C3=CC=C(C=C3)[N+](=O)[O-])N(C(=O)NC2=O)C

InChI

InChI=1S/C21H27N7O4/c1-4-5-6-7-8-13-27-17-18(26(3)21(30)23-19(17)29)22-20(27)25-24-14(2)15-9-11-16(12-10-15)28(31)32/h9-12H,4-8,13H2,1-3H3,(H,22,25)(H,23,29,30)/b24-14+