tert-butyl 3-oxidanylidene-4-[(4-oxidanyl-1-pyrimidin-4-yl-piperidin-4-yl)methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 3-oxidanylidene-4-[(4-oxidanyl-1-pyrimidin-4-yl-piperidin-4-yl)methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(4-hydroxy-1-pyrimidin-4-yl-4-piperidyl)methyl]-3-oxo-piperazine-1-carboxylate CAS Name: 4-[[4-hydroxy-1-(4-pyrimidinyl)-4-piperidinyl]methyl]-3-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-hydroxy-1-pyrimidin-4-ylpiperidin-4-yl)methyl]-3-oxopiperazine-1-carboxylate Traditional Name: 4-[[4-hydroxy-1-(4-pyrimidyl)-4-piperidyl]methyl]-3-keto-piperazine-1-carboxylic acid tert-butyl ester Formula: C19H29N5O4 MolecularWeight: 391.46466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(=O)C1)CC2(CCN(CC2)C3=NC=NC=C3)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(=O)C1)CC2(CCN(CC2)C3=NC=NC=C3)O

InChI

InChI=1S/C19H29N5O4/c1-18(2,3)28-17(26)23-10-11-24(16(25)12-23)13-19(27)5-8-22(9-6-19)15-4-7-20-14-21-15/h4,7,14,27H,5-6,8-13H2,1-3H3