1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-(2-methylprop-2-enylsulfanyl)purine-2,6-dione

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-(2-methylprop-2-enylsulfanyl)purine-2,6-dione Openeye Name: 1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-(2-methylallylsulfanyl)purine-2,6-dione CAS Name: 1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-(2-methylprop-2-enylthio)purine-2,6-dione IUPAC Name: 1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-(2-methylprop-2-enylsulfanyl)purine-2,6-dione Traditional Name: 1-(4-chlorobenzyl)-3,7-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(N1C)C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=C)CSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)Cl

InChI

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