ethyl 3-[(4-fluorophenyl)carbonylamino]-5-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-1-carboxylate

Systemtic Name: ethyl 3-[(4-fluorophenyl)carbonylamino]-5-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-1-carboxylate Openeye Name: ethyl 3-[(4-fluorobenzoyl)amino]-5-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-1-carboxylate CAS Name: 3-[[(4-fluorophenyl)-oxomethyl]amino]-5-[2-(methylthio)-4-pyrimidinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-1-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-fluorobenzoyl)amino]-5-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-1-carboxylate Traditional Name: 3-[(4-fluorobenzoyl)amino]-5-[2-(methylthio)pyrimidin-4-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-1-carboxylic acid ethyl ester Formula: C21H21FN6O3S MolecularWeight: 456.493243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2=C(CN(CC2)C3=NC(=NC=C3)SC)C(=N1)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)N1C2=C(CN(CC2)C3=NC(=NC=C3)SC)C(=N1)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN6O3S/c1-3-31-21(30)28-16-9-11-27(17-8-10-23-20(24-17)32-2)12-15(16)18(26-28)25-19(29)13-4-6-14(22)7-5-13/h4-8,10H,3,9,11-12H2,1-2H3,(H,25,26,29)