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

Systemtic Name: 8-[(4-chlorophenyl)methylsulfanyl]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 8-[(4-chlorophenyl)methylsulfanyl]-3-methyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 8-[(4-chlorophenyl)methylthio]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 8-[(4-chlorophenyl)methylsulfanyl]-3-methyl-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 8-[(4-chlorobenzyl)thio]-3-methyl-7-(2-methylallyl)xanthine Formula: C17H17ClN4O2S MolecularWeight: 376.86048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1SCC3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1SCC3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C

InChI

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