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

Systemtic Name: 3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-7-nonyl-purine-2,6-dione Openeye Name: 3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylene]hydrazino]-7-nonyl-purine-2,6-dione CAS Name: 3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-7-nonylpurine-2,6-dione IUPAC Name: 3-methyl-8-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-7-nonylpurine-2,6-dione Traditional Name: 3-methyl-8-[(N'E)-N'-(3-nitrobenzylidene)hydrazino]-7-nonyl-xanthine Formula: C22H29N7O4 MolecularWeight: 455.51016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1NN=CC3=CC(=CC=C3)[N+](=O)[O-])N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1N/N=C/C3=CC(=CC=C3)[N+](=O)[O-])N(C(=O)NC2=O)C

InChI

InChI=1S/C22H29N7O4/c1-3-4-5-6-7-8-9-13-28-18-19(27(2)22(31)25-20(18)30)24-21(28)26-23-15-16-11-10-12-17(14-16)29(32)33/h10-12,14-15H,3-9,13H2,1-2H3,(H,24,26)(H,25,30,31)/b23-15+