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

Systemtic Name: 8-[(Z)-3-chloranylbut-2-enyl]sulfanyl-3-methyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-7-isopropyl-3-methyl-purine-2,6-dione CAS Name: 8-[[(Z)-3-chlorobut-2-enyl]thio]-3-methyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-[(Z)-3-chlorobut-2-enyl]sulfanyl-3-methyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-[[(Z)-3-chlorobut-2-enyl]thio]-7-isopropyl-3-methyl-xanthine Formula: C13H17ClN4O2S MolecularWeight: 328.81768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SCC=C(C)Cl)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SC/C=C(/C)\Cl)N(C(=O)NC2=O)C

InChI

InChI=1S/C13H17ClN4O2S/c1-7(2)18-9-10(17(4)12(20)16-11(9)19)15-13(18)21-6-5-8(3)14/h5,7H,6H2,1-4H3,(H,16,19,20)/b8-5-