7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-(2-methylpropylsulfanyl)purine-2,6-dione

Systemtic Name: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-(2-methylpropylsulfanyl)purine-2,6-dione Openeye Name: 7-[(4-fluorophenyl)methyl]-8-isobutylsulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-(2-methylpropylthio)purine-2,6-dione IUPAC Name: 7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-(2-methylpropylsulfanyl)purine-2,6-dione Traditional Name: 7-(4-fluorobenzyl)-8-(isobutylthio)-1,3-dimethyl-xanthine Formula: C18H21FN4O2S MolecularWeight: 376.448343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NC2=C(N1CC3=CC=C(C=C3)F)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)CSC1=NC2=C(N1CC3=CC=C(C=C3)F)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C18H21FN4O2S/c1-11(2)10-26-17-20-15-14(16(24)22(4)18(25)21(15)3)23(17)9-12-5-7-13(19)8-6-12/h5-8,11H,9-10H2,1-4H3