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

Systemtic Name: 8-[(4-chlorophenyl)methylsulfanyl]-3-methyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-[(4-chlorophenyl)methylsulfanyl]-7-isopropyl-3-methyl-purine-2,6-dione CAS Name: 8-[(4-chlorophenyl)methylthio]-3-methyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-[(4-chlorophenyl)methylsulfanyl]-3-methyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-[(4-chlorobenzyl)thio]-7-isopropyl-3-methyl-xanthine Formula: C16H17ClN4O2S MolecularWeight: 364.84978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SCC3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SCC3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H17ClN4O2S/c1-9(2)21-12-13(20(3)15(23)19-14(12)22)18-16(21)24-8-10-4-6-11(17)7-5-10/h4-7,9H,8H2,1-3H3,(H,19,22,23)