propan-2-yl 4-[6-[[6-(2-hydroxyethylsulfanyl)pyridin-3-yl]amino]-5-methoxy-pyrimidin-4-yl]oxypiperidine-1-carboxylate

Systemtic Name: propan-2-yl 4-[6-[[6-(2-hydroxyethylsulfanyl)pyridin-3-yl]amino]-5-methoxy-pyrimidin-4-yl]oxypiperidine-1-carboxylate Openeye Name: isopropyl 4-[6-[[6-(2-hydroxyethylsulfanyl)-3-pyridyl]amino]-5-methoxy-pyrimidin-4-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[6-[[6-(2-hydroxyethylthio)-3-pyridinyl]amino]-5-methoxy-4-pyrimidinyl]oxy]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[6-[[6-(2-hydroxyethylsulfanyl)pyridin-3-yl]amino]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[6-[[6-(2-hydroxyethylthio)-3-pyridyl]amino]-5-methoxy-pyrimidin-4-yl]oxypiperidine-1-carboxylic acid isopropyl ester Formula: C21H29N5O5S MolecularWeight: 463.55046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCC(CC1)OC2=NC=NC(=C2OC)NC3=CN=C(C=C3)SCCO

Isomeric SMILES

CC(C)OC(=O)N1CCC(CC1)OC2=NC=NC(=C2OC)NC3=CN=C(C=C3)SCCO

InChI

InChI=1S/C21H29N5O5S/c1-14(2)30-21(28)26-8-6-16(7-9-26)31-20-18(29-3)19(23-13-24-20)25-15-4-5-17(22-12-15)32-11-10-27/h4-5,12-14,16,27H,6-11H2,1-3H3,(H,23,24,25)