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

Systemtic Name: 7-[(Z)-3-chloranylbut-2-enyl]-3-methyl-8-phenacylsulfanyl-purine-2,6-dione Openeye Name: 7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-phenacylsulfanyl-purine-2,6-dione CAS Name: 7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-(phenacylthio)purine-2,6-dione IUPAC Name: 7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-phenacylsulfanylpurine-2,6-dione Traditional Name: 7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-(phenacylthio)xanthine Formula: C18H17ClN4O3S MolecularWeight: 404.87058

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)NC2=O)C)Cl

Isomeric SMILES

C/C(=C/CN1C2=C(N=C1SCC(=O)C3=CC=CC=C3)N(C(=O)NC2=O)C)/Cl

InChI

InChI=1S/C18H17ClN4O3S/c1-11(19)8-9-23-14-15(22(2)17(26)21-16(14)25)20-18(23)27-10-13(24)12-6-4-3-5-7-12/h3-8H,9-10H2,1-2H3,(H,21,25,26)/b11-8-