tert-butyl 4-[(6-chloranylpyrimidin-4-yl)-(4-oxidanylpiperidin-4-yl)methyl]-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(6-chloranylpyrimidin-4-yl)-(4-oxidanylpiperidin-4-yl)methyl]-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(6-chloropyrimidin-4-yl)-(4-hydroxy-4-piperidyl)methyl]-3-oxo-piperazine-1-carboxylate CAS Name: 4-[(6-chloro-4-pyrimidinyl)-(4-hydroxy-4-piperidinyl)methyl]-3-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(6-chloropyrimidin-4-yl)-(4-hydroxypiperidin-4-yl)methyl]-3-oxopiperazine-1-carboxylate Traditional Name: 4-[(6-chloropyrimidin-4-yl)-(4-hydroxy-4-piperidyl)methyl]-3-keto-piperazine-1-carboxylic acid tert-butyl ester Formula: C19H28ClN5O4 MolecularWeight: 425.90972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(=O)C1)C(C2=CC(=NC=N2)Cl)C3(CCNCC3)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(=O)C1)C(C2=CC(=NC=N2)Cl)C3(CCNCC3)O

InChI

InChI=1S/C19H28ClN5O4/c1-18(2,3)29-17(27)24-8-9-25(15(26)11-24)16(13-10-14(20)23-12-22-13)19(28)4-6-21-7-5-19/h10,12,16,21,28H,4-9,11H2,1-3H3