ethyl 2-[4-[(4-methylphenyl)amino]-2-methylsulfanyl-pyrimidin-5-yl]ethanoate

Systemtic Name: ethyl 2-[4-[(4-methylphenyl)amino]-2-methylsulfanyl-pyrimidin-5-yl]ethanoate Openeye Name: ethyl 2-[4-(4-methylanilino)-2-methylsulfanyl-pyrimidin-5-yl]acetate CAS Name: 2-[4-(4-methylanilino)-2-(methylthio)-5-pyrimidinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-methylanilino)-2-methylsulfanylpyrimidin-5-yl]acetate Traditional Name: 2-[2-(methylthio)-4-(p-toluidino)pyrimidin-5-yl]acetic acid ethyl ester Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CN=C(N=C1NC2=CC=C(C=C2)C)SC

Isomeric SMILES

CCOC(=O)CC1=CN=C(N=C1NC2=CC=C(C=C2)C)SC

InChI

InChI=1S/C16H19N3O2S/c1-4-21-14(20)9-12-10-17-16(22-3)19-15(12)18-13-7-5-11(2)6-8-13/h5-8,10H,4,9H2,1-3H3,(H,17,18,19)