3,7-dimethyl-1-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]purine-2,6-dione Openeye Name: 1-[2-[4-[(E)-cinnamyl]piperazin-1-yl]-2-oxo-ethyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 3,7-dimethyl-1-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]ethyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]purine-2,6-dione Traditional Name: 1-[2-[4-[(E)-cinnamyl]piperazino]-2-keto-ethyl]-3,7-dimethyl-xanthine Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)N3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C22H26N6O3/c1-24-16-23-20-19(24)21(30)28(22(31)25(20)2)15-18(29)27-13-11-26(12-14-27)10-6-9-17-7-4-3-5-8-17/h3-9,16H,10-15H2,1-2H3/b9-6+