6-(2-azanylethoxymethyl)-4-(3-chlorophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 6-(2-azanylethoxymethyl)-4-(3-chlorophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid Openeye Name: 6-(2-aminoethoxymethyl)-4-(3-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid CAS Name: 6-(2-aminoethoxymethyl)-4-(3-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid IUPAC Name: 6-(2-aminoethoxymethyl)-4-(3-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid Traditional Name: 6-(2-aminoethoxymethyl)-4-(3-chlorophenyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid Formula: C14H16ClN3O4 MolecularWeight: 325.74754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C2C(=C(NC(=O)N2)COCCN)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C2C(=C(NC(=O)N2)COCCN)C(=O)O

InChI

InChI=1S/C14H16ClN3O4/c15-9-3-1-2-8(6-9)12-11(13(19)20)10(7-22-5-4-16)17-14(21)18-12/h1-3,6,12H,4-5,7,16H2,(H,19,20)(H2,17,18,21)