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

Systemtic Name: 3-methyl-8-[(2E)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]-7-octyl-purine-2,6-dione Openeye Name: 3-methyl-8-[(2E)-2-[1-(3-nitrophenyl)ethylidene]hydrazino]-7-octyl-purine-2,6-dione CAS Name: 3-methyl-8-[(2E)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]-7-octylpurine-2,6-dione IUPAC Name: 3-methyl-8-[(2E)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]-7-octylpurine-2,6-dione Traditional Name: 3-methyl-8-[(N'E)-N'-[1-(3-nitrophenyl)ethylidene]hydrazino]-7-octyl-xanthine Formula: C22H29N7O4 MolecularWeight: 455.51016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N7O4/c1-4-5-6-7-8-9-13-28-18-19(27(3)22(31)24-20(18)30)23-21(28)26-25-15(2)16-11-10-12-17(14-16)29(32)33/h10-12,14H,4-9,13H2,1-3H3,(H,23,26)(H,24,30,31)/b25-15+