8-[(E)-but-2-enyl]sulfanyl-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-[(E)-but-2-enyl]sulfanyl-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-[(E)-but-2-enyl]sulfanyl-1,3-dimethyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 8-[[(E)-but-2-enyl]thio]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-[(E)-but-2-enyl]sulfanyl-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-[[(E)-but-2-enyl]thio]-1,3-dimethyl-7-(3-methylbenzyl)xanthine Formula: C19H22N4O2S MolecularWeight: 370.46858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CCSC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

C/C=C/CSC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C19H22N4O2S/c1-5-6-10-26-18-20-16-15(17(24)22(4)19(25)21(16)3)23(18)12-14-9-7-8-13(2)11-14/h5-9,11H,10,12H2,1-4H3/b6-5+