3-methyl-7-nonyl-8-[(2Z)-2-(phenylmethylidene)hydrazinyl]purine-2,6-dione

Systemtic Name: 3-methyl-7-nonyl-8-[(2Z)-2-(phenylmethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 8-[(2Z)-2-benzylidenehydrazino]-3-methyl-7-nonyl-purine-2,6-dione CAS Name: 3-methyl-7-nonyl-8-[(2Z)-2-(phenylmethylene)hydrazinyl]purine-2,6-dione IUPAC Name: 8-[(2Z)-2-benzylidenehydrazinyl]-3-methyl-7-nonylpurine-2,6-dione Traditional Name: 8-[(N'Z)-N'-benzalhydrazino]-3-methyl-7-nonyl-xanthine Formula: C22H30N6O2 MolecularWeight: 410.5126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1NN=CC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1N/N=C\C3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C22H30N6O2/c1-3-4-5-6-7-8-12-15-28-18-19(27(2)22(30)25-20(18)29)24-21(28)26-23-16-17-13-10-9-11-14-17/h9-11,13-14,16H,3-8,12,15H2,1-2H3,(H,24,26)(H,25,29,30)/b23-16-