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

Systemtic Name: 8-[(Z)-3-chloranylbut-2-enyl]sulfanyl-7-hexyl-3-methyl-purine-2,6-dione Openeye Name: 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-hexyl-3-methyl-purine-2,6-dione CAS Name: 8-[[(Z)-3-chlorobut-2-enyl]thio]-7-hexyl-3-methylpurine-2,6-dione IUPAC Name: 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-hexyl-3-methylpurine-2,6-dione Traditional Name: 8-[[(Z)-3-chlorobut-2-enyl]thio]-7-hexyl-3-methyl-xanthine Formula: C16H23ClN4O2S MolecularWeight: 370.89742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1SCC=C(C)Cl)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1SC/C=C(/C)\Cl)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H23ClN4O2S/c1-4-5-6-7-9-21-12-13(20(3)15(23)19-14(12)22)18-16(21)24-10-8-11(2)17/h8H,4-7,9-10H2,1-3H3,(H,19,22,23)/b11-8-