8-[(4-chlorophenyl)methylsulfanyl]-3-methyl-7-prop-2-enyl-purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=C(C=C3)Cl)CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=C(C=C3)Cl)CC=C

InChI

InChI=1S/C16H15ClN4O2S/c1-3-8-21-12-13(20(2)15(23)19-14(12)22)18-16(21)24-9-10-4-6-11(17)7-5-10/h3-7H,1,8-9H2,2H3,(H,19,22,23)