ethyl 4-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[4-(6-fluoroindoxazen-3-yl)piperidino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C20H21FN4O3S MolecularWeight: 416.469143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)SC

InChI

InChI=1S/C20H21FN4O3S/c1-3-27-19(26)15-11-22-20(29-2)23-18(15)25-8-6-12(7-9-25)17-14-5-4-13(21)10-16(14)28-24-17/h4-5,10-12H,3,6-9H2,1-2H3