tert-butyl 2-(oxidanylidenemethylidene)-4-(5-pyridin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 2-(oxidanylidenemethylidene)-4-(5-pyridin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 2-(oxomethylene)-4-[5-(4-pyridyl)pyrimidin-2-yl]piperazine-1-carboxylate CAS Name: 2-(oxomethylidene)-4-(5-pyridin-4-yl-2-pyrimidinyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(oxomethylidene)-4-(5-pyridin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate Traditional Name: 2-(ketomethylene)-4-[5-(4-pyridyl)pyrimidin-2-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1=C=O)C2=NC=C(C=N2)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1=C=O)C2=NC=C(C=N2)C3=CC=NC=C3

InChI

InChI=1S/C19H21N5O3/c1-19(2,3)27-18(26)24-9-8-23(12-16(24)13-25)17-21-10-15(11-22-17)14-4-6-20-7-5-14/h4-7,10-11H,8-9,12H2,1-3H3