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

Systemtic Name: 3-methyl-8-(4-phenethylpiperazin-1-yl)-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione Openeye Name: 7-[(E)-cinnamyl]-3-methyl-8-(4-phenethylpiperazin-1-yl)purine-2,6-dione CAS Name: 3-methyl-8-(4-phenethyl-1-piperazinyl)-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione IUPAC Name: 3-methyl-8-(4-phenethylpiperazin-1-yl)-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione Traditional Name: 7-[(E)-cinnamyl]-3-methyl-8-(4-phenethylpiperazino)xanthine Formula: C27H30N6O2 MolecularWeight: 470.5661

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CCC4=CC=CC=C4)CC=CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CCC4=CC=CC=C4)C/C=C/C5=CC=CC=C5

InChI

InChI=1S/C27H30N6O2/c1-30-24-23(25(34)29-27(30)35)33(15-8-13-21-9-4-2-5-10-21)26(28-24)32-19-17-31(18-20-32)16-14-22-11-6-3-7-12-22/h2-13H,14-20H2,1H3,(H,29,34,35)/b13-8+