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

Systemtic Name: methyl (5S)-2-butylsulfanyl-5-(3,4-dimethoxyphenyl)-7-methyl-4-oxidanylidene-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl (5S)-2-butylsulfanyl-5-(3,4-dimethoxyphenyl)-7-methyl-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: (5S)-2-(butylthio)-5-(3,4-dimethoxyphenyl)-7-methyl-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl (5S)-2-butylsulfanyl-5-(3,4-dimethoxyphenyl)-7-methyl-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: (5S)-2-(butylthio)-5-(3,4-dimethoxyphenyl)-4-keto-7-methyl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5S/c1-6-7-10-31-22-24-19-18(20(26)25-22)17(16(12(2)23-19)21(27)30-5)13-8-9-14(28-3)15(11-13)29-4/h8-9,11,17H,6-7,10H2,1-5H3,(H2,23,24,25,26)/t17-/m1/s1