8-[(2-chlorophenyl)methylsulfanyl]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione

Systemtic Name: 8-[(2-chlorophenyl)methylsulfanyl]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 8-[(2-chlorophenyl)methylsulfanyl]-1,3-dimethyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 8-[(2-chlorophenyl)methylthio]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 8-[(2-chlorophenyl)methylsulfanyl]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 8-[(2-chlorobenzyl)thio]-1,3-dimethyl-7-(2-methylallyl)xanthine Formula: C18H19ClN4O2S MolecularWeight: 390.88706

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN1C2=C(N=C1SCC3=CC=CC=C3Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(=C)CN1C2=C(N=C1SCC3=CC=CC=C3Cl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H19ClN4O2S/c1-11(2)9-23-14-15(21(3)18(25)22(4)16(14)24)20-17(23)26-10-12-7-5-6-8-13(12)19/h5-8H,1,9-10H2,2-4H3