tert-butyl 2-[4-[4-(2-cyanopyrimidin-5-yl)piperazin-1-yl]-1-oxidanyl-cyclohexyl]ethanoate

Systemtic Name: tert-butyl 2-[4-[4-(2-cyanopyrimidin-5-yl)piperazin-1-yl]-1-oxidanyl-cyclohexyl]ethanoate Openeye Name: tert-butyl 2-[4-[4-(2-cyanopyrimidin-5-yl)piperazin-1-yl]-1-hydroxy-cyclohexyl]acetate CAS Name: 2-[4-[4-(2-cyano-5-pyrimidinyl)-1-piperazinyl]-1-hydroxycyclohexyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[4-(2-cyanopyrimidin-5-yl)piperazin-1-yl]-1-hydroxycyclohexyl]acetate Traditional Name: 2-[4-[4-(2-cyanopyrimidin-5-yl)piperazino]-1-hydroxy-cyclohexyl]acetic acid tert-butyl ester Formula: C21H31N5O3 MolecularWeight: 401.50254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1(CCC(CC1)N2CCN(CC2)C3=CN=C(N=C3)C#N)O

Isomeric SMILES

CC(C)(C)OC(=O)CC1(CCC(CC1)N2CCN(CC2)C3=CN=C(N=C3)C#N)O

InChI

InChI=1S/C21H31N5O3/c1-20(2,3)29-19(27)12-21(28)6-4-16(5-7-21)25-8-10-26(11-9-25)17-14-23-18(13-22)24-15-17/h14-16,28H,4-12H2,1-3H3