[1-oxidanylidene-1-(pyrimidin-2-ylamino)propan-2-yl] 2-(4-chlorophenyl)sulfanylethanoate

Systemtic Name: [1-oxidanylidene-1-(pyrimidin-2-ylamino)propan-2-yl] 2-(4-chlorophenyl)sulfanylethanoate Openeye Name: [1-methyl-2-oxo-2-(pyrimidin-2-ylamino)ethyl] 2-(4-chlorophenyl)sulfanylacetate CAS Name: 2-[(4-chlorophenyl)thio]acetic acid [1-oxo-1-(2-pyrimidinylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl] 2-(4-chlorophenyl)sulfanylacetate Traditional Name: 2-[(4-chlorophenyl)thio]acetic acid [2-keto-1-methyl-2-(2-pyrimidylamino)ethyl] ester Formula: C15H14ClN3O3S MolecularWeight: 351.80796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=CC=N1)OC(=O)CSC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C(=O)NC1=NC=CC=N1)OC(=O)CSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H14ClN3O3S/c1-10(14(21)19-15-17-7-2-8-18-15)22-13(20)9-23-12-5-3-11(16)4-6-12/h2-8,10H,9H2,1H3,(H,17,18,19,21)