8-[(2-chlorophenyl)methylsulfanyl]-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-[(2-chlorophenyl)methylsulfanyl]-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-[(2-chlorophenyl)methylsulfanyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(2-chlorophenyl)methylthio]-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-[(2-chlorophenyl)methylsulfanyl]-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-[(2-chlorobenzyl)thio]-1,3-dimethyl-xanthine Formula: C17H17ClN4O2S MolecularWeight: 376.86048

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC=CC=C3Cl)CC=C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC=CC=C3Cl)CC=C

InChI

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