methyl 2-[2,6-bis(chloranyl)pyridin-4-yl]-6-oxidanylidene-4-(phenylsulfanylmethyl)-4,5-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 2-[2,6-bis(chloranyl)pyridin-4-yl]-6-oxidanylidene-4-(phenylsulfanylmethyl)-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 2-(2,6-dichloro-4-pyridyl)-6-oxo-4-(phenylsulfanylmethyl)-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-(2,6-dichloro-4-pyridinyl)-6-oxo-4-[(phenylthio)methyl]-4,5-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 2-(2,6-dichloropyridin-4-yl)-6-oxo-4-(phenylsulfanylmethyl)-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-(2,6-dichloro-4-pyridyl)-6-keto-4-[(phenylthio)methyl]-4,5-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C18H15Cl2N3O3S MolecularWeight: 424.301

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(N=C(NC1=O)C2=CC(=NC(=C2)Cl)Cl)CSC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1C(N=C(NC1=O)C2=CC(=NC(=C2)Cl)Cl)CSC3=CC=CC=C3

InChI

InChI=1S/C18H15Cl2N3O3S/c1-26-18(25)15-12(9-27-11-5-3-2-4-6-11)21-16(23-17(15)24)10-7-13(19)22-14(20)8-10/h2-8,12,15H,9H2,1H3,(H,21,23,24)