ethyl 2-[(3,4-dichlorophenyl)methylsulfanyl]-4-(2-methylaziridin-1-yl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[(3,4-dichlorophenyl)methylsulfanyl]-4-(2-methylaziridin-1-yl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-[(3,4-dichlorophenyl)methylsulfanyl]-4-(2-methylaziridin-1-yl)pyrimidine-5-carboxylate CAS Name: 2-[(3,4-dichlorophenyl)methylthio]-4-(2-methyl-1-aziridinyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3,4-dichlorophenyl)methylsulfanyl]-4-(2-methylaziridin-1-yl)pyrimidine-5-carboxylate Traditional Name: 2-[(3,4-dichlorobenzyl)thio]-4-(2-methylethylenimin-1-yl)pyrimidine-5-carboxylic acid ethyl ester Formula: C17H17Cl2N3O2S MolecularWeight: 398.30678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N2CC2C)SCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N2CC2C)SCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H17Cl2N3O2S/c1-3-24-16(23)12-7-20-17(21-15(12)22-8-10(22)2)25-9-11-4-5-13(18)14(19)6-11/h4-7,10H,3,8-9H2,1-2H3