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

Systemtic Name: phenyl 5-(1-methyl-6-oxidanylidene-4-pyrimidin-4-yl-pyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate Openeye Name: phenyl 5-(1-methyl-6-oxo-4-pyrimidin-4-yl-pyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate CAS Name: 5-[1-methyl-6-oxo-4-(4-pyrimidinyl)-2-pyrimidinyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid phenyl ester IUPAC Name: phenyl 5-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate Traditional Name: 5-[6-keto-1-methyl-4-(4-pyrimidyl)pyrimidin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid phenyl ester Formula: C21H20N6O3 MolecularWeight: 404.4219

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(N=C1N2CC3CC2CN3C(=O)OC4=CC=CC=C4)C5=NC=NC=C5

Isomeric SMILES

CN1C(=O)C=C(N=C1N2CC3CC2CN3C(=O)OC4=CC=CC=C4)C5=NC=NC=C5

InChI

InChI=1S/C21H20N6O3/c1-25-19(28)10-18(17-7-8-22-13-23-17)24-20(25)26-11-15-9-14(26)12-27(15)21(29)30-16-5-3-2-4-6-16/h2-8,10,13-15H,9,11-12H2,1H3