(6-oxidanidyl-4-oxidanylidene-pyrido[4,3-d]pyrimidin-6-ium-3-yl)methyl 2,2-dimethylpropanoate

Systemtic Name: (6-oxidanidyl-4-oxidanylidene-pyrido[4,3-d]pyrimidin-6-ium-3-yl)methyl 2,2-dimethylpropanoate Openeye Name: (6-oxido-4-oxo-pyrido[4,3-d]pyrimidin-6-ium-3-yl)methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid (6-oxido-4-oxo-3-pyrido[4,3-d]pyrimidin-6-iumyl)methyl ester IUPAC Name: (6-oxido-4-oxopyrido[4,3-d]pyrimidin-6-ium-3-yl)methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (4-keto-6-oxido-pyrido[4,3-d]pyrimidin-6-ium-3-yl)methyl ester Formula: C13H15N3O4 MolecularWeight: 277.2759

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C=NC2=C(C1=O)C=[N+](C=C2)[O-]

Isomeric SMILES

CC(C)(C)C(=O)OCN1C=NC2=C(C1=O)C=[N+](C=C2)[O-]

InChI

InChI=1S/C13H15N3O4/c1-13(2,3)12(18)20-8-15-7-14-10-4-5-16(19)6-9(10)11(15)17/h4-7H,8H2,1-3H3