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

Systemtic Name: 3-methyl-8-[(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]-7-nonyl-purine-2,6-dione Openeye Name: 3-methyl-8-[(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazino]-7-nonyl-purine-2,6-dione CAS Name: 3-methyl-8-[(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]-7-nonylpurine-2,6-dione IUPAC Name: 3-methyl-8-[(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl]-7-nonylpurine-2,6-dione Traditional Name: 3-methyl-8-[(N'E)-N'-[1-(4-nitrophenyl)ethylidene]hydrazino]-7-nonyl-xanthine Formula: C23H31N7O4 MolecularWeight: 469.53674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N7O4/c1-4-5-6-7-8-9-10-15-29-19-20(28(3)23(32)25-21(19)31)24-22(29)27-26-16(2)17-11-13-18(14-12-17)30(33)34/h11-14H,4-10,15H2,1-3H3,(H,24,27)(H,25,31,32)/b26-16+