3-methyl-7-octyl-8-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]purine-2,6-dione

Systemtic Name: 3-methyl-7-octyl-8-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]purine-2,6-dione Openeye Name: 3-methyl-8-[(2Z)-2-[(E)-1-methyl-3-phenyl-prop-2-enylidene]hydrazino]-7-octyl-purine-2,6-dione CAS Name: 3-methyl-7-octyl-8-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 3-methyl-7-octyl-8-[(2Z)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]purine-2,6-dione Traditional Name: 3-methyl-8-[(N'Z)-N'-[(E)-1-methyl-3-phenyl-prop-2-enylidene]hydrazino]-7-octyl-xanthine Formula: C24H32N6O2 MolecularWeight: 436.54988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N6O2/c1-4-5-6-7-8-12-17-30-20-21(29(3)24(32)26-22(20)31)25-23(30)28-27-18(2)15-16-19-13-10-9-11-14-19/h9-11,13-16H,4-8,12,17H2,1-3H3,(H,25,28)(H,26,31,32)/b16-15+,27-18-