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

Systemtic Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(2-methylprop-2-enylsulfanyl)purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(2-methylallylsulfanyl)purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(2-methylprop-2-enylthio)purine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(2-methylprop-2-enylsulfanyl)purine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-1,3-dimethyl-8-(2-methylallylthio)xanthine Formula: C18H19ClN4O2S MolecularWeight: 390.88706

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(=C)CSC1=NC2=C(N1CC3=CC=CC=C3Cl)C(=O)N(C(=O)N2C)C

InChI

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