8-(2-chloroethylsulfanyl)-3-methyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-(2-chloroethylsulfanyl)-3-methyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-(2-chloroethylsulfanyl)-3-methyl-purine-2,6-dione CAS Name: 8-(2-chloroethylthio)-3-methyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-(2-chloroethylsulfanyl)-3-methyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-(2-chloroethylthio)-3-methyl-xanthine Formula: C11H13ClN4O2S MolecularWeight: 300.76452

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCCl)CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCCCl)CC=C

InChI

InChI=1S/C11H13ClN4O2S/c1-3-5-16-7-8(13-11(16)19-6-4-12)15(2)10(18)14-9(7)17/h3H,1,4-6H2,2H3,(H,14,17,18)