propan-2-yl 4-[6-[(2-methyl-6-methylsulfonyl-pyridin-3-yl)amino]-5-propoxy-pyrimidin-4-yl]oxypiperidine-1-carboxylate

Systemtic Name: propan-2-yl 4-[6-[(2-methyl-6-methylsulfonyl-pyridin-3-yl)amino]-5-propoxy-pyrimidin-4-yl]oxypiperidine-1-carboxylate Openeye Name: isopropyl 4-[6-[(2-methyl-6-methylsulfonyl-3-pyridyl)amino]-5-propoxy-pyrimidin-4-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]-5-propoxy-4-pyrimidinyl]oxy]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[6-[(2-methyl-6-methylsulfonylpyridin-3-yl)amino]-5-propoxypyrimidin-4-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[6-[(6-mesyl-2-methyl-3-pyridyl)amino]-5-propoxy-pyrimidin-4-yl]oxypiperidine-1-carboxylic acid isopropyl ester Formula: C23H33N5O6S MolecularWeight: 507.60302

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(N=CN=C1OC2CCN(CC2)C(=O)OC(C)C)NC3=C(N=C(C=C3)S(=O)(=O)C)C

Isomeric SMILES

CCCOC1=C(N=CN=C1OC2CCN(CC2)C(=O)OC(C)C)NC3=C(N=C(C=C3)S(=O)(=O)C)C

InChI

InChI=1S/C23H33N5O6S/c1-6-13-32-20-21(27-18-7-8-19(26-16(18)4)35(5,30)31)24-14-25-22(20)34-17-9-11-28(12-10-17)23(29)33-15(2)3/h7-8,14-15,17H,6,9-13H2,1-5H3,(H,24,25,27)