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

Systemtic Name: 8-[(Z)-3-chloranylbut-2-enyl]sulfanyl-7-heptyl-3-methyl-purine-2,6-dione Openeye Name: 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-heptyl-3-methyl-purine-2,6-dione CAS Name: 8-[[(Z)-3-chlorobut-2-enyl]thio]-7-heptyl-3-methylpurine-2,6-dione IUPAC Name: 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-heptyl-3-methylpurine-2,6-dione Traditional Name: 8-[[(Z)-3-chlorobut-2-enyl]thio]-7-heptyl-3-methyl-xanthine Formula: C17H25ClN4O2S MolecularWeight: 384.924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1SCC=C(C)Cl)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1SC/C=C(/C)\Cl)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H25ClN4O2S/c1-4-5-6-7-8-10-22-13-14(21(3)16(24)20-15(13)23)19-17(22)25-11-9-12(2)18/h9H,4-8,10-11H2,1-3H3,(H,20,23,24)/b12-9-