tert-butyl (3R)-3-methyl-4-(1-methyl-6-oxidanylidene-4-pyridin-4-yl-pyrimidin-2-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl (3R)-3-methyl-4-(1-methyl-6-oxidanylidene-4-pyridin-4-yl-pyrimidin-2-yl)piperazine-1-carboxylate Openeye Name: tert-butyl (3R)-3-methyl-4-[1-methyl-6-oxo-4-(4-pyridyl)pyrimidin-2-yl]piperazine-1-carboxylate CAS Name: (3R)-3-methyl-4-(1-methyl-6-oxo-4-pyridin-4-yl-2-pyrimidinyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-3-methyl-4-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate Traditional Name: (3R)-4-[6-keto-1-methyl-4-(4-pyridyl)pyrimidin-2-yl]-3-methyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=NC(=CC(=O)N2C)C3=CC=NC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H]1CN(CCN1C2=NC(=CC(=O)N2C)C3=CC=NC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H27N5O3/c1-14-13-24(19(27)28-20(2,3)4)10-11-25(14)18-22-16(12-17(26)23(18)5)15-6-8-21-9-7-15/h6-9,12,14H,10-11,13H2,1-5H3/t14-/m1/s1