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

Systemtic Name: 7-[(Z)-3-chloranylbut-2-enyl]-3-methyl-8-propan-2-ylsulfanyl-purine-2,6-dione Openeye Name: 7-[(Z)-3-chlorobut-2-enyl]-8-isopropylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-(propan-2-ylthio)purine-2,6-dione IUPAC Name: 7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-propan-2-ylsulfanylpurine-2,6-dione Traditional Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(isopropylthio)-3-methyl-xanthine Formula: C13H17ClN4O2S MolecularWeight: 328.81768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(N1CC=C(C)Cl)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C)SC1=NC2=C(N1C/C=C(/C)\Cl)C(=O)NC(=O)N2C

InChI

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