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

Systemtic Name: ethyl 5-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[2-[(6-methyl-4-pyrimidinyl)thio]-1-oxobutyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[2-[(6-methylpyrimidin-4-yl)thio]butanoylamino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O3S/c1-4-17(30-18-11-14(3)22-13-23-18)20(27)25-19-16(21(28)29-5-2)12-24-26(19)15-9-7-6-8-10-15/h6-13,17H,4-5H2,1-3H3,(H,25,27)