methyl 2-[2,6-bis(chloranyl)pyridin-4-yl]-5-ethyl-6-oxidanylidene-4-(phenylsulfinylmethyl)-1-prop-2-ynyl-4H-pyrimidine-5-carboxylate

Systemtic Name: methyl 2-[2,6-bis(chloranyl)pyridin-4-yl]-5-ethyl-6-oxidanylidene-4-(phenylsulfinylmethyl)-1-prop-2-ynyl-4H-pyrimidine-5-carboxylate Openeye Name: methyl 4-(benzenesulfinylmethyl)-2-(2,6-dichloro-4-pyridyl)-5-ethyl-6-oxo-1-prop-2-ynyl-4H-pyrimidine-5-carboxylate CAS Name: 4-(benzenesulfinylmethyl)-2-(2,6-dichloro-4-pyridinyl)-5-ethyl-6-oxo-1-prop-2-ynyl-4H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(benzenesulfinylmethyl)-2-(2,6-dichloropyridin-4-yl)-5-ethyl-6-oxo-1-prop-2-ynyl-4H-pyrimidine-5-carboxylate Traditional Name: 4-(benzenesulfinylmethyl)-2-(2,6-dichloro-4-pyridyl)-5-ethyl-6-keto-1-propargyl-4H-pyrimidine-5-carboxylic acid methyl ester Formula: C23H21Cl2N3O4S MolecularWeight: 506.40154

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(N=C(N(C1=O)CC#C)C2=CC(=NC(=C2)Cl)Cl)CS(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC1(C(N=C(N(C1=O)CC#C)C2=CC(=NC(=C2)Cl)Cl)CS(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H21Cl2N3O4S/c1-4-11-28-20(15-12-18(24)27-19(25)13-15)26-17(14-33(31)16-9-7-6-8-10-16)23(5-2,21(28)29)22(30)32-3/h1,6-10,12-13,17H,5,11,14H2,2-3H3