3-methyl-8-[4-(2-methylpropyl)piperazin-1-yl]-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione

Systemtic Name: 3-methyl-8-[4-(2-methylpropyl)piperazin-1-yl]-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione Openeye Name: 7-[(E)-cinnamyl]-8-(4-isobutylpiperazin-1-yl)-3-methyl-purine-2,6-dione CAS Name: 3-methyl-8-[4-(2-methylpropyl)-1-piperazinyl]-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione IUPAC Name: 3-methyl-8-[4-(2-methylpropyl)piperazin-1-yl]-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione Traditional Name: 7-[(E)-cinnamyl]-8-(4-isobutylpiperazino)-3-methyl-xanthine Formula: C23H30N6O2 MolecularWeight: 422.5233

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCN(CC1)C2=NC3=C(N2CC=CC4=CC=CC=C4)C(=O)NC(=O)N3C

Isomeric SMILES

CC(C)CN1CCN(CC1)C2=NC3=C(N2C/C=C/C4=CC=CC=C4)C(=O)NC(=O)N3C

InChI

InChI=1S/C23H30N6O2/c1-17(2)16-27-12-14-28(15-13-27)22-24-20-19(21(30)25-23(31)26(20)3)29(22)11-7-10-18-8-5-4-6-9-18/h4-10,17H,11-16H2,1-3H3,(H,25,30,31)/b10-7+