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

Systemtic Name: methyl (5R)-2-butylsulfanyl-5-(4-methoxycarbonylphenyl)-7-methyl-4-oxidanylidene-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl (5R)-2-butylsulfanyl-5-(4-methoxycarbonylphenyl)-7-methyl-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: (5R)-2-(butylthio)-5-(4-methoxycarbonylphenyl)-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-methoxycarbonylphenyl)-7-methyl-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: (5R)-2-(butylthio)-5-(4-carbomethoxyphenyl)-4-keto-7-methyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5S/c1-5-6-11-31-22-24-18-17(19(26)25-22)16(15(12(2)23-18)21(28)30-4)13-7-9-14(10-8-13)20(27)29-3/h7-10,16H,5-6,11H2,1-4H3,(H2,23,24,25,26)/t16-/m0/s1