methyl (2S)-1-[6-acetamido-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[6-acetamido-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[6-acetamido-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[6-acetamido-2-(3,5-dimethyl-1-pyrazolyl)-4-pyrimidinyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[6-acetamido-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[6-acetamido-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid methyl ester Formula: C17H22N6O3 MolecularWeight: 358.39498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC(=CC(=N2)NC(=O)C)N3CCCC3C(=O)OC)C

Isomeric SMILES

CC1=CC(=NN1C2=NC(=CC(=N2)NC(=O)C)N3CCC[C@H]3C(=O)OC)C

InChI

InChI=1S/C17H22N6O3/c1-10-8-11(2)23(21-10)17-19-14(18-12(3)24)9-15(20-17)22-7-5-6-13(22)16(25)26-4/h8-9,13H,5-7H2,1-4H3,(H,18,19,20,24)/t13-/m0/s1