3-methyl-7-(2-methylpropyl)-8-[2-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-methylpropyl)-8-[2-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]purine-2,6-dione Openeye Name: 7-isobutyl-3-methyl-8-[2-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]purine-2,6-dione CAS Name: 3-methyl-7-(2-methylpropyl)-8-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylhydrazo]purine-2,6-dione IUPAC Name: 3-methyl-7-(2-methylpropyl)-8-[2-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]purine-2,6-dione Traditional Name: 7-isobutyl-8-[N'-[(4-ketocyclohexa-2,5-dien-1-ylidene)methyl]hydrazino]-3-methyl-xanthine Formula: C17H20N6O3 MolecularWeight: 356.3791

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1NNC=C3C=CC(=O)C=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1NNC=C3C=CC(=O)C=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H20N6O3/c1-10(2)9-23-13-14(22(3)17(26)20-15(13)25)19-16(23)21-18-8-11-4-6-12(24)7-5-11/h4-8,10,18H,9H2,1-3H3,(H,19,21)(H,20,25,26)