ethyl 3-[[1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]carbonylamino]propanoate

Systemtic Name: ethyl 3-[[1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]carbonylamino]propanoate Openeye Name: ethyl 3-[[1-[4-(2,5-dimethyl-3-thienyl)pyrimidin-2-yl]-5-methyl-pyrazole-4-carbonyl]amino]propanoate CAS Name: 3-[[[1-[4-(2,5-dimethyl-3-thiophenyl)-2-pyrimidinyl]-5-methyl-4-pyrazolyl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-methylpyrazole-4-carbonyl]amino]propanoate Traditional Name: 3-[[1-[4-(2,5-dimethyl-3-thienyl)pyrimidin-2-yl]-5-methyl-pyrazole-4-carbonyl]amino]propionic acid ethyl ester Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O3S/c1-5-28-18(26)7-9-21-19(27)16-11-23-25(13(16)3)20-22-8-6-17(24-20)15-10-12(2)29-14(15)4/h6,8,10-11H,5,7,9H2,1-4H3,(H,21,27)