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

Systemtic Name: 7-butyl-3-methyl-8-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]purine-2,6-dione Openeye Name: 7-butyl-3-methyl-8-[(2E)-2-[(E)-1-methyl-3-phenyl-prop-2-enylidene]hydrazino]purine-2,6-dione CAS Name: 7-butyl-3-methyl-8-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]purine-2,6-dione IUPAC Name: 7-butyl-3-methyl-8-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]purine-2,6-dione Traditional Name: 7-butyl-3-methyl-8-[(N'E)-N'-[(E)-1-methyl-3-phenyl-prop-2-enylidene]hydrazino]xanthine Formula: C20H24N6O2 MolecularWeight: 380.44356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1NN=C(C)C=CC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCN1C2=C(N=C1N/N=C(\C)/C=C/C3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H24N6O2/c1-4-5-13-26-16-17(25(3)20(28)22-18(16)27)21-19(26)24-23-14(2)11-12-15-9-7-6-8-10-15/h6-12H,4-5,13H2,1-3H3,(H,21,24)(H,22,27,28)/b12-11+,23-14+