ethyl 4-(aziridin-1-yl)-2-[(2-chlorophenyl)methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(aziridin-1-yl)-2-[(2-chlorophenyl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-(aziridin-1-yl)-2-[(2-chlorophenyl)methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-(1-aziridinyl)-2-[(2-chlorophenyl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(aziridin-1-yl)-2-[(2-chlorophenyl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 2-[(2-chlorobenzyl)thio]-4-ethylenimino-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H16ClN3O2S MolecularWeight: 349.83514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N2CC2)SCC3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N2CC2)SCC3=CC=CC=C3Cl

InChI

InChI=1S/C16H16ClN3O2S/c1-2-22-15(21)12-9-18-16(19-14(12)20-7-8-20)23-10-11-5-3-4-6-13(11)17/h3-6,9H,2,7-8,10H2,1H3