8-(4-chlorophenyl)sulfanyl-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-(4-chlorophenyl)sulfanyl-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-(4-chlorophenyl)sulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(4-chlorophenyl)thio]-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-(4-chlorophenyl)sulfanyl-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-[(4-chlorophenyl)thio]-1,3-dimethyl-xanthine Formula: C16H15ClN4O2S MolecularWeight: 362.8339

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=CC=C(C=C3)Cl)CC=C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=CC=C(C=C3)Cl)CC=C

InChI

InChI=1S/C16H15ClN4O2S/c1-4-9-21-12-13(19(2)16(23)20(3)14(12)22)18-15(21)24-11-7-5-10(17)6-8-11/h4-8H,1,9H2,2-3H3