tert-butyl 5-(1-methyl-6-oxidanylidene-4-pyridin-4-yl-pyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

Systemtic Name: tert-butyl 5-(1-methyl-6-oxidanylidene-4-pyridin-4-yl-pyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate Openeye Name: tert-butyl 5-[1-methyl-6-oxo-4-(4-pyridyl)pyrimidin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate CAS Name: 5-(1-methyl-6-oxo-4-pyridin-4-yl-2-pyrimidinyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate Traditional Name: 5-[6-keto-1-methyl-4-(4-pyridyl)pyrimidin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2CC1CN2C3=NC(=CC(=O)N3C)C4=CC=NC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2CC1CN2C3=NC(=CC(=O)N3C)C4=CC=NC=C4

InChI

InChI=1S/C20H25N5O3/c1-20(2,3)28-19(27)25-12-14-9-15(25)11-24(14)18-22-16(10-17(26)23(18)4)13-5-7-21-8-6-13/h5-8,10,14-15H,9,11-12H2,1-4H3