propan-2-yl 2-butylsulfanyl-7-methyl-4-oxidanylidene-5-pyridin-4-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: propan-2-yl 2-butylsulfanyl-7-methyl-4-oxidanylidene-5-pyridin-4-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 2-butylsulfanyl-7-methyl-4-oxo-5-(4-pyridyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-(butylthio)-7-methyl-4-oxo-5-pyridin-4-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-butylsulfanyl-7-methyl-4-oxo-5-pyridin-4-yl-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(butylthio)-4-keto-7-methyl-5-(4-pyridyl)-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3S/c1-5-6-11-29-21-24-18-17(19(26)25-21)16(14-7-9-22-10-8-14)15(13(4)23-18)20(27)28-12(2)3/h7-10,12,16H,5-6,11H2,1-4H3,(H2,23,24,25,26)