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

Systemtic Name: ethyl 4-(aziridin-1-yl)-2-[(3,4-dichlorophenyl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-(aziridin-1-yl)-2-[(3,4-dichlorophenyl)methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-(1-aziridinyl)-2-[(3,4-dichlorophenyl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(aziridin-1-yl)-2-[(3,4-dichlorophenyl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 2-[(3,4-dichlorobenzyl)thio]-4-ethylenimino-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H15Cl2N3O2S MolecularWeight: 384.2802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N2CC2)SCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N2CC2)SCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H15Cl2N3O2S/c1-2-23-15(22)11-8-19-16(20-14(11)21-5-6-21)24-9-10-3-4-12(17)13(18)7-10/h3-4,7-8H,2,5-6,9H2,1H3