7-decyl-3-methyl-8-propylsulfanyl-purine-2,6-dione

Systemtic Name: 7-decyl-3-methyl-8-propylsulfanyl-purine-2,6-dione Openeye Name: 7-decyl-3-methyl-8-propylsulfanyl-purine-2,6-dione CAS Name: 7-decyl-3-methyl-8-(propylthio)purine-2,6-dione IUPAC Name: 7-decyl-3-methyl-8-propylsulfanylpurine-2,6-dione Traditional Name: 7-decyl-3-methyl-8-(propylthio)xanthine Formula: C19H32N4O2S MolecularWeight: 380.54798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C2=C(N=C1SCCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCN1C2=C(N=C1SCCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H32N4O2S/c1-4-6-7-8-9-10-11-12-13-23-15-16(20-19(23)26-14-5-2)22(3)18(25)21-17(15)24/h4-14H2,1-3H3,(H,21,24,25)