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

Systemtic Name: 3-methyl-7-octyl-8-[(2E)-2-(phenylmethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 8-[(2E)-2-benzylidenehydrazino]-3-methyl-7-octyl-purine-2,6-dione CAS Name: 3-methyl-7-octyl-8-[(2E)-2-(phenylmethylene)hydrazinyl]purine-2,6-dione IUPAC Name: 8-[(2E)-2-benzylidenehydrazinyl]-3-methyl-7-octylpurine-2,6-dione Traditional Name: 8-[(N'E)-N'-benzalhydrazino]-3-methyl-7-octyl-xanthine Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1NN=CC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1N/N=C/C3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C21H28N6O2/c1-3-4-5-6-7-11-14-27-17-18(26(2)21(29)24-19(17)28)23-20(27)25-22-15-16-12-9-8-10-13-16/h8-10,12-13,15H,3-7,11,14H2,1-2H3,(H,23,25)(H,24,28,29)/b22-15+