methyl 1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]pyridin-2-yl]methyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]pyridin-2-yl]methyl]pyrrolidine-2-carboxylate Openeye Name: methyl 1-[[6-[[2-(4-pyridyl)thiazol-4-yl]carbamoylamino]-2-pyridyl]methyl]pyrrolidine-2-carboxylate CAS Name: 1-[[6-[[oxo-[(2-pyridin-4-yl-4-thiazolyl)amino]methyl]amino]-2-pyridinyl]methyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[[6-[(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamoylamino]pyridin-2-yl]methyl]pyrrolidine-2-carboxylate Traditional Name: 1-[[6-[[2-(4-pyridyl)thiazol-4-yl]carbamoylamino]-2-pyridyl]methyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C21H22N6O3S MolecularWeight: 438.50278

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1CC2=NC(=CC=C2)NC(=O)NC3=CSC(=N3)C4=CC=NC=C4

Isomeric SMILES

COC(=O)C1CCCN1CC2=NC(=CC=C2)NC(=O)NC3=CSC(=N3)C4=CC=NC=C4

InChI

InChI=1S/C21H22N6O3S/c1-30-20(28)16-5-3-11-27(16)12-15-4-2-6-17(23-15)25-21(29)26-18-13-31-19(24-18)14-7-9-22-10-8-14/h2,4,6-10,13,16H,3,5,11-12H2,1H3,(H2,23,25,26,29)