8-[(Z)-3-chloranylbut-2-enyl]sulfanyl-3-methyl-7-nonyl-purine-2,6-dione

Systemtic Name: 8-[(Z)-3-chloranylbut-2-enyl]sulfanyl-3-methyl-7-nonyl-purine-2,6-dione Openeye Name: 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-methyl-7-nonyl-purine-2,6-dione CAS Name: 8-[[(Z)-3-chlorobut-2-enyl]thio]-3-methyl-7-nonylpurine-2,6-dione IUPAC Name: 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-methyl-7-nonylpurine-2,6-dione Traditional Name: 8-[[(Z)-3-chlorobut-2-enyl]thio]-3-methyl-7-nonyl-xanthine Formula: C19H29ClN4O2S MolecularWeight: 412.97716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1SCC=C(C)Cl)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1SC/C=C(/C)\Cl)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H29ClN4O2S/c1-4-5-6-7-8-9-10-12-24-15-16(23(3)18(26)22-17(15)25)21-19(24)27-13-11-14(2)20/h11H,4-10,12-13H2,1-3H3,(H,22,25,26)/b14-11-