1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione Openeye Name: 7-[(E)-cinnamyl]-1,3-dimethyl-8-(2-morpholinoethylsulfanyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-[2-(4-morpholinyl)ethylthio]-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(2-morpholin-4-ylethylsulfanyl)-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione Traditional Name: 7-[(E)-cinnamyl]-1,3-dimethyl-8-(2-morpholinoethylthio)xanthine Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCN3CCOCC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCN3CCOCC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C22H27N5O3S/c1-24-19-18(20(28)25(2)22(24)29)27(10-6-9-17-7-4-3-5-8-17)21(23-19)31-16-13-26-11-14-30-15-12-26/h3-9H,10-16H2,1-2H3/b9-6+