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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C2=NC3=C(N2CC=CC4=CC=CC=C4)C(=O)NC(=O)N3C

Isomeric SMILES

CCCCN1CCN(CC1)C2=NC3=C(N2C/C=C/C4=CC=CC=C4)C(=O)NC(=O)N3C

InChI

InChI=1S/C23H30N6O2/c1-3-4-12-27-14-16-28(17-15-27)22-24-20-19(21(30)25-23(31)26(20)2)29(22)13-8-11-18-9-6-5-7-10-18/h5-11H,3-4,12-17H2,1-2H3,(H,25,30,31)/b11-8+