ethyl 5-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylbutanoylamino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylbutanoylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylbutanoylamino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-1-oxobutyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]butanoylamino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C27H27N5O3S MolecularWeight: 501.59998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC)SC3=NC(=NC(=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC)SC3=NC(=NC(=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C27H27N5O3S/c1-4-23(36-24-16-22(29-18(3)30-24)19-12-8-6-9-13-19)26(33)31-25-21(27(34)35-5-2)17-28-32(25)20-14-10-7-11-15-20/h6-17,23H,4-5H2,1-3H3,(H,31,33)