ethyl 3-[[5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]carbonylamino]propanoate

Systemtic Name: ethyl 3-[[5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]carbonylamino]propanoate Openeye Name: ethyl 3-[[5-methyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]amino]propanoate CAS Name: 3-[[[5-methyl-1-(4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carbonyl]amino]propanoate Traditional Name: 3-[[5-methyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]amino]propionic acid ethyl ester Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)C1=C(N(N=C1)C2=NC=CC(=N2)C3=CC=CS3)C

Isomeric SMILES

CCOC(=O)CCNC(=O)C1=C(N(N=C1)C2=NC=CC(=N2)C3=CC=CS3)C

InChI

InChI=1S/C18H19N5O3S/c1-3-26-16(24)7-9-19-17(25)13-11-21-23(12(13)2)18-20-8-6-14(22-18)15-5-4-10-27-15/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,19,25)