3-methyl-8-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-7-octyl-purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1NN=CC3=CC=C(C=C3)[N+](=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1N/N=C/C3=CC=C(C=C3)[N+](=O)[O-])N(C(=O)NC2=O)C

InChI

InChI=1S/C21H27N7O4/c1-3-4-5-6-7-8-13-27-17-18(26(2)21(30)24-19(17)29)23-20(27)25-22-14-15-9-11-16(12-10-15)28(31)32/h9-12,14H,3-8,13H2,1-2H3,(H,23,25)(H,24,29,30)/b22-14+