2-[7-cyano-1-(2,2-dimethylpropyl)-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-3-yl]ethanoate

Systemtic Name: 2-[7-cyano-1-(2,2-dimethylpropyl)-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-3-yl]ethanoate Openeye Name: 2-[7-cyano-1-(2,2-dimethylpropyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]acetate CAS Name: 2-[7-cyano-1-(2,2-dimethylpropyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]acetate IUPAC Name: 2-[7-cyano-1-(2,2-dimethylpropyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]acetate Traditional Name: 2-(7-cyano-2-keto-1-neopentyl-4H-pyrimido[4,5-d]pyrimidin-3-yl)acetate Formula: C14H16N5O3- MolecularWeight: 302.30854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C2=NC(=NC=C2CN(C1=O)CC(=O)[O-])C#N

Isomeric SMILES

CC(C)(C)CN1C2=NC(=NC=C2CN(C1=O)CC(=O)[O-])C#N

InChI

InChI=1S/C14H17N5O3/c1-14(2,3)8-19-12-9(5-16-10(4-15)17-12)6-18(13(19)22)7-11(20)21/h5H,6-8H2,1-3H3,(H,20,21)/p-1