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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC(=O)N1CCC(CC1)OC2=NC=NC(=C2OC)NC3=C(N=C(C=C3)S(=O)(=O)C)C

Isomeric SMILES

CCC(CC)OC(=O)N1CCC(CC1)OC2=NC=NC(=C2OC)NC3=C(N=C(C=C3)S(=O)(=O)C)C

InChI

InChI=1S/C23H33N5O6S/c1-6-16(7-2)34-23(29)28-12-10-17(11-13-28)33-22-20(32-4)21(24-14-25-22)27-18-8-9-19(26-15(18)3)35(5,30)31/h8-9,14,16-17H,6-7,10-13H2,1-5H3,(H,24,25,27)