tert-butyl 4-[5-cyano-6-[(6-methylsulfanylpyridin-3-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-cyano-6-[(6-methylsulfanylpyridin-3-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate Openeye Name: tert-butyl 4-[5-cyano-6-[(6-methylsulfanyl-3-pyridyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[5-cyano-6-[[6-(methylthio)-3-pyridinyl]amino]-4-pyrimidinyl]oxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-cyano-6-[(6-methylsulfanylpyridin-3-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[5-cyano-6-[[6-(methylthio)-3-pyridyl]amino]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid tert-butyl ester Formula: C21H26N6O3S MolecularWeight: 442.53454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=NC=NC(=C2C#N)NC3=CN=C(C=C3)SC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=NC=NC(=C2C#N)NC3=CN=C(C=C3)SC

InChI

InChI=1S/C21H26N6O3S/c1-21(2,3)30-20(28)27-9-7-15(8-10-27)29-19-16(11-22)18(24-13-25-19)26-14-5-6-17(31-4)23-12-14/h5-6,12-13,15H,7-10H2,1-4H3,(H,24,25,26)