tert-butyl 4-[5-methyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidin-4-yl]oxypiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-methyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidin-4-yl]oxypiperidine-1-carboxylate Openeye Name: tert-butyl 4-[5-methyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidin-4-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[5-methyl-6-[(4-methylsulfonyl-1-piperazinyl)methyl]-4-pyrimidinyl]oxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-methyl-6-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidin-4-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[6-[(4-mesylpiperazino)methyl]-5-methyl-pyrimidin-4-yl]oxypiperidine-1-carboxylic acid tert-butyl ester Formula: C21H35N5O5S MolecularWeight: 469.5981

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN=C1OC2CCN(CC2)C(=O)OC(C)(C)C)CN3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=C(N=CN=C1OC2CCN(CC2)C(=O)OC(C)(C)C)CN3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C21H35N5O5S/c1-16-18(14-24-10-12-26(13-11-24)32(5,28)29)22-15-23-19(16)30-17-6-8-25(9-7-17)20(27)31-21(2,3)4/h15,17H,6-14H2,1-5H3