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

Systemtic Name: 3-methyl-7-[(E)-3-phenylprop-2-enyl]-8-[4-(3-phenylpropyl)piperazin-1-yl]purine-2,6-dione Openeye Name: 7-[(E)-cinnamyl]-3-methyl-8-[4-(3-phenylpropyl)piperazin-1-yl]purine-2,6-dione CAS Name: 3-methyl-7-[(E)-3-phenylprop-2-enyl]-8-[4-(3-phenylpropyl)-1-piperazinyl]purine-2,6-dione IUPAC Name: 3-methyl-7-[(E)-3-phenylprop-2-enyl]-8-[4-(3-phenylpropyl)piperazin-1-yl]purine-2,6-dione Traditional Name: 7-[(E)-cinnamyl]-3-methyl-8-[4-(3-phenylpropyl)piperazino]xanthine Formula: C28H32N6O2 MolecularWeight: 484.59268

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CCCC4=CC=CC=C4)CC=CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CCCC4=CC=CC=C4)C/C=C/C5=CC=CC=C5

InChI

InChI=1S/C28H32N6O2/c1-31-25-24(26(35)30-28(31)36)34(17-9-15-23-12-6-3-7-13-23)27(29-25)33-20-18-32(19-21-33)16-8-14-22-10-4-2-5-11-22/h2-7,9-13,15H,8,14,16-21H2,1H3,(H,30,35,36)/b15-9+