methyl 3-[(5-cyano-2-ethylsulfanyl-6-methylsulfanyl-pyrimidin-4-yl)amino]-4-methyl-benzoate

Systemtic Name: methyl 3-[(5-cyano-2-ethylsulfanyl-6-methylsulfanyl-pyrimidin-4-yl)amino]-4-methyl-benzoate Openeye Name: methyl 3-[(5-cyano-2-ethylsulfanyl-6-methylsulfanyl-pyrimidin-4-yl)amino]-4-methyl-benzoate CAS Name: 3-[[5-cyano-2-(ethylthio)-6-(methylthio)-4-pyrimidinyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[(5-cyano-2-ethylsulfanyl-6-methylsulfanylpyrimidin-4-yl)amino]-4-methylbenzoate Traditional Name: 3-[[5-cyano-2-(ethylthio)-6-(methylthio)pyrimidin-4-yl]amino]-4-methyl-benzoic acid methyl ester Formula: C17H18N4O2S2 MolecularWeight: 374.48042

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=C(C(=N1)SC)C#N)NC2=C(C=CC(=C2)C(=O)OC)C

Isomeric SMILES

CCSC1=NC(=C(C(=N1)SC)C#N)NC2=C(C=CC(=C2)C(=O)OC)C

InChI

InChI=1S/C17H18N4O2S2/c1-5-25-17-20-14(12(9-18)15(21-17)24-4)19-13-8-11(16(22)23-3)7-6-10(13)2/h6-8H,5H2,1-4H3,(H,19,20,21)