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

Systemtic Name: 8-[(E)-3-chloranylbut-2-enyl]sulfanyl-3-methyl-7-pentyl-purine-2,6-dione Openeye Name: 8-[(E)-3-chlorobut-2-enyl]sulfanyl-3-methyl-7-pentyl-purine-2,6-dione CAS Name: 8-[[(E)-3-chlorobut-2-enyl]thio]-3-methyl-7-pentylpurine-2,6-dione IUPAC Name: 8-[(E)-3-chlorobut-2-enyl]sulfanyl-3-methyl-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-8-[[(E)-3-chlorobut-2-enyl]thio]-3-methyl-xanthine Formula: C15H21ClN4O2S MolecularWeight: 356.87084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1SCC=C(C)Cl)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1SC/C=C(\C)/Cl)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H21ClN4O2S/c1-4-5-6-8-20-11-12(19(3)14(22)18-13(11)21)17-15(20)23-9-7-10(2)16/h7H,4-6,8-9H2,1-3H3,(H,18,21,22)/b10-7+