ethyl 2-[[5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]pyrazol-4-yl]carbonyl-methyl-amino]ethanoate

Systemtic Name: ethyl 2-[[5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]pyrazol-4-yl]carbonyl-methyl-amino]ethanoate Openeye Name: ethyl 2-[[5-cyclopropyl-1-[4-(2,5-dimethyl-3-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]-methyl-amino]acetate CAS Name: 2-[[[5-cyclopropyl-1-[4-(2,5-dimethyl-3-thiophenyl)-2-pyrimidinyl]-4-pyrazolyl]-oxomethyl]-methylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]pyrazole-4-carbonyl]-methylamino]acetate Traditional Name: 2-[[5-cyclopropyl-1-[4-(2,5-dimethyl-3-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]-methyl-amino]acetic acid ethyl ester Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C)C(=O)C1=C(N(N=C1)C2=NC=CC(=N2)C3=C(SC(=C3)C)C)C4CC4

Isomeric SMILES

CCOC(=O)CN(C)C(=O)C1=C(N(N=C1)C2=NC=CC(=N2)C3=C(SC(=C3)C)C)C4CC4

InChI

InChI=1S/C22H25N5O3S/c1-5-30-19(28)12-26(4)21(29)17-11-24-27(20(17)15-6-7-15)22-23-9-8-18(25-22)16-10-13(2)31-14(16)3/h8-11,15H,5-7,12H2,1-4H3