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

Systemtic Name: 8-butylsulfanyl-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione Openeye Name: 8-butylsulfanyl-7-[(E)-cinnamyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(butylthio)-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione IUPAC Name: 8-butylsulfanyl-1,3-dimethyl-7-[(E)-3-phenylprop-2-enyl]purine-2,6-dione Traditional Name: 8-(butylthio)-7-[(E)-cinnamyl]-1,3-dimethyl-xanthine Formula: C20H24N4O2S MolecularWeight: 384.49516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(N1CC=CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCSC1=NC2=C(N1C/C=C/C3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C20H24N4O2S/c1-4-5-14-27-19-21-17-16(18(25)23(3)20(26)22(17)2)24(19)13-9-12-15-10-7-6-8-11-15/h6-12H,4-5,13-14H2,1-3H3/b12-9+