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

Systemtic Name: 5-cyano-6-methyl-2-oxidanylidene-4-(phenethyloxymethyl)-1,4-dihydropyrimidine-3-carboxylic acid Openeye Name: 5-cyano-6-methyl-2-oxo-4-(phenethyloxymethyl)-1,4-dihydropyrimidine-3-carboxylic acid CAS Name: 5-cyano-6-methyl-2-oxo-4-(phenethyloxymethyl)-1,4-dihydropyrimidine-3-carboxylic acid IUPAC Name: 5-cyano-6-methyl-2-oxo-4-(phenethyloxymethyl)-1,4-dihydropyrimidine-3-carboxylic acid Traditional Name: 5-cyano-2-keto-6-methyl-4-(phenethyloxymethyl)-1,4-dihydropyrimidine-3-carboxylic acid Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=O)N1)C(=O)O)COCCC2=CC=CC=C2)C#N

Isomeric SMILES

CC1=C(C(N(C(=O)N1)C(=O)O)COCCC2=CC=CC=C2)C#N

InChI

InChI=1S/C16H17N3O4/c1-11-13(9-17)14(19(16(21)22)15(20)18-11)10-23-8-7-12-5-3-2-4-6-12/h2-6,14H,7-8,10H2,1H3,(H,18,20)(H,21,22)