1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-prop-2-enylsulfanyl-purine-2,6-dione

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-prop-2-enylsulfanyl-purine-2,6-dione Openeye Name: 8-allylsulfanyl-1-[(4-chlorophenyl)methyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-(prop-2-enylthio)purine-2,6-dione IUPAC Name: 1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-prop-2-enylsulfanylpurine-2,6-dione Traditional Name: 8-(allylthio)-1-(4-chlorobenzyl)-3,7-dimethyl-xanthine Formula: C17H17ClN4O2S MolecularWeight: 376.86048

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC=C)N(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CN1C2=C(N=C1SCC=C)N(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C17H17ClN4O2S/c1-4-9-25-16-19-14-13(20(16)2)15(23)22(17(24)21(14)3)10-11-5-7-12(18)8-6-11/h4-8H,1,9-10H2,2-3H3