2-[[6-(4-chlorophenyl)-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]amino]ethyl 3-methylbenzoate

Systemtic Name: 2-[[6-(4-chlorophenyl)-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]amino]ethyl 3-methylbenzoate Openeye Name: 2-[[6-(4-chlorophenyl)-5-cyano-2-methylsulfanyl-pyrimidin-4-yl]amino]ethyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid 2-[[6-(4-chlorophenyl)-5-cyano-2-(methylthio)-4-pyrimidinyl]amino]ethyl ester IUPAC Name: 2-[[6-(4-chlorophenyl)-5-cyano-2-methylsulfanylpyrimidin-4-yl]amino]ethyl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid 2-[[6-(4-chlorophenyl)-5-cyano-2-(methylthio)pyrimidin-4-yl]amino]ethyl ester Formula: C22H19ClN4O2S MolecularWeight: 438.92986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCCNC2=NC(=NC(=C2C#N)C3=CC=C(C=C3)Cl)SC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCCNC2=NC(=NC(=C2C#N)C3=CC=C(C=C3)Cl)SC

InChI

InChI=1S/C22H19ClN4O2S/c1-14-4-3-5-16(12-14)21(28)29-11-10-25-20-18(13-24)19(26-22(27-20)30-2)15-6-8-17(23)9-7-15/h3-9,12H,10-11H2,1-2H3,(H,25,26,27)