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

Systemtic Name: methyl (5R)-2-butylsulfanyl-5-(4-fluorophenyl)-7-methyl-4-oxidanylidene-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C20H22FN3O3S MolecularWeight: 403.470383

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3O3S/c1-4-5-10-28-20-23-17-16(18(25)24-20)15(12-6-8-13(21)9-7-12)14(11(2)22-17)19(26)27-3/h6-9,15H,4-5,10H2,1-3H3,(H2,22,23,24,25)/t15-/m0/s1