ethyl (5R)-2-butylsulfanyl-5-(4-fluorophenyl)-7-methyl-4-oxidanylidene-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl (5R)-2-butylsulfanyl-5-(4-fluorophenyl)-7-methyl-4-oxidanylidene-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl (5R)-2-butylsulfanyl-5-(4-fluorophenyl)-7-methyl-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: (5R)-2-(butylthio)-5-(4-fluorophenyl)-7-methyl-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl (5R)-2-butylsulfanyl-5-(4-fluorophenyl)-7-methyl-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: (5R)-2-(butylthio)-5-(4-fluorophenyl)-4-keto-7-methyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H24FN3O3S MolecularWeight: 417.496963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=O)C2=C(N1)NC(=C(C2C3=CC=C(C=C3)F)C(=O)OCC)C

Isomeric SMILES

CCCCSC1=NC(=O)C2=C(N1)NC(=C([C@@H]2C3=CC=C(C=C3)F)C(=O)OCC)C

InChI

InChI=1S/C21H24FN3O3S/c1-4-6-11-29-21-24-18-17(19(26)25-21)16(13-7-9-14(22)10-8-13)15(12(3)23-18)20(27)28-5-2/h7-10,16H,4-6,11H2,1-3H3,(H2,23,24,25,26)/t16-/m0/s1