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

Systemtic Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-prop-2-enylsulfanyl-purine-2,6-dione Openeye Name: 8-allylsulfanyl-7-[(4-chlorophenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-(prop-2-enylthio)purine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-prop-2-enylsulfanylpurine-2,6-dione Traditional Name: 8-(allylthio)-7-(4-chlorobenzyl)-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)SCC=C)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC=C)CC3=CC=C(C=C3)Cl

InChI

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