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

Systemtic Name: 7-[(Z)-3-chloranylbut-2-enyl]-8-ethylsulfanyl-3-methyl-purine-2,6-dione Openeye Name: 7-[(Z)-3-chlorobut-2-enyl]-8-ethylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(ethylthio)-3-methylpurine-2,6-dione IUPAC Name: 7-[(Z)-3-chlorobut-2-enyl]-8-ethylsulfanyl-3-methylpurine-2,6-dione Traditional Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(ethylthio)-3-methyl-xanthine Formula: C12H15ClN4O2S MolecularWeight: 314.7911

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(N1CC=C(C)Cl)C(=O)NC(=O)N2C

Isomeric SMILES

CCSC1=NC2=C(N1C/C=C(/C)\Cl)C(=O)NC(=O)N2C

InChI

InChI=1S/C12H15ClN4O2S/c1-4-20-12-14-9-8(17(12)6-5-7(2)13)10(18)15-11(19)16(9)3/h5H,4,6H2,1-3H3,(H,15,18,19)/b7-5-