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

Systemtic Name: ethyl (5R)-2-butylsulfanyl-7-methyl-4-oxidanylidene-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl (5R)-2-butylsulfanyl-7-methyl-4-oxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: (5R)-2-(butylthio)-7-methyl-4-oxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl (5R)-2-butylsulfanyl-7-methyl-4-oxo-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: (5R)-2-(butylthio)-4-keto-7-methyl-5-phenyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-4-6-12-28-21-23-18-17(19(25)24-21)16(14-10-8-7-9-11-14)15(13(3)22-18)20(26)27-5-2/h7-11,16H,4-6,12H2,1-3H3,(H2,22,23,24,25)/t16-/m0/s1