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

Systemtic Name: 8-[(Z)-3-chloranylbut-2-enyl]sulfanyl-3-methyl-7-octyl-purine-2,6-dione Openeye Name: 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-methyl-7-octyl-purine-2,6-dione CAS Name: 8-[[(Z)-3-chlorobut-2-enyl]thio]-3-methyl-7-octylpurine-2,6-dione IUPAC Name: 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-methyl-7-octylpurine-2,6-dione Traditional Name: 8-[[(Z)-3-chlorobut-2-enyl]thio]-3-methyl-7-octyl-xanthine Formula: C18H27ClN4O2S MolecularWeight: 398.95058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1SCC=C(C)Cl)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1SC/C=C(/C)\Cl)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H27ClN4O2S/c1-4-5-6-7-8-9-11-23-14-15(22(3)17(25)21-16(14)24)20-18(23)26-12-10-13(2)19/h10H,4-9,11-12H2,1-3H3,(H,21,24,25)/b13-10-