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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1NN=C(C)C=CC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1N/N=C(/C)\C=C\C3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H24N6O2/c1-13(2)12-26-16-17(25(4)20(28)22-18(16)27)21-19(26)24-23-14(3)10-11-15-8-6-5-7-9-15/h5-11,13H,12H2,1-4H3,(H,21,24)(H,22,27,28)/b11-10+,23-14-