butyl 4-[2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(5-cyano-2,6-dimethyl-4-pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(5-cyano-2,6-dimethyl-pyrimidin-4-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C20H22N4O3S MolecularWeight: 398.47868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC(=C2C#N)C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC(=C2C#N)C)C

InChI

InChI=1S/C20H22N4O3S/c1-4-5-10-27-20(26)15-6-8-16(9-7-15)24-18(25)12-28-19-17(11-21)13(2)22-14(3)23-19/h6-9H,4-5,10,12H2,1-3H3,(H,24,25)