5-cyano-4-(2,2-dimethylpropyl)-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-3-carboxylic acid

Systemtic Name: 5-cyano-4-(2,2-dimethylpropyl)-6-methyl-2-oxidanylidene-1,4-dihydropyrimidine-3-carboxylic acid Openeye Name: 5-cyano-4-(2,2-dimethylpropyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid CAS Name: 5-cyano-4-(2,2-dimethylpropyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid IUPAC Name: 5-cyano-4-(2,2-dimethylpropyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-3-carboxylic acid Traditional Name: 5-cyano-2-keto-6-methyl-4-neopentyl-1,4-dihydropyrimidine-3-carboxylic acid Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)C(=O)O)CC(C)(C)C)C#N

Isomeric SMILES

CC1=C(C(N(C(=O)N1)C(=O)O)CC(C)(C)C)C#N

InChI

InChI=1S/C12H17N3O3/c1-7-8(6-13)9(5-12(2,3)4)15(11(17)18)10(16)14-7/h9H,5H2,1-4H3,(H,14,16)(H,17,18)