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

Systemtic Name: 3-methyl-8-[4-(3-methylbutyl)piperazin-1-yl]-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione Openeye Name: 7-[(E)-cinnamyl]-8-(4-isopentylpiperazin-1-yl)-3-methyl-purine-2,6-dione CAS Name: 3-methyl-8-[4-(3-methylbutyl)-1-piperazinyl]-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione IUPAC Name: 3-methyl-8-[4-(3-methylbutyl)piperazin-1-yl]-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione Traditional Name: 7-[(E)-cinnamyl]-8-(4-isoamylpiperazino)-3-methyl-xanthine Formula: C24H32N6O2 MolecularWeight: 436.54988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1CCN(CC1)C2=NC3=C(N2CC=CC4=CC=CC=C4)C(=O)NC(=O)N3C

Isomeric SMILES

CC(C)CCN1CCN(CC1)C2=NC3=C(N2C/C=C/C4=CC=CC=C4)C(=O)NC(=O)N3C

InChI

InChI=1S/C24H32N6O2/c1-18(2)11-13-28-14-16-29(17-15-28)23-25-21-20(22(31)26-24(32)27(21)3)30(23)12-7-10-19-8-5-4-6-9-19/h4-10,18H,11-17H2,1-3H3,(H,26,31,32)/b10-7+