5-[1-[[3-(4-chlorophenyl)-2-oxidanylidene-butyl]amino]-2-methyl-propyl]pyrimidine-4-carboxylic acid

Systemtic Name: 5-[1-[[3-(4-chlorophenyl)-2-oxidanylidene-butyl]amino]-2-methyl-propyl]pyrimidine-4-carboxylic acid Openeye Name: 5-[1-[[3-(4-chlorophenyl)-2-oxo-butyl]amino]-2-methyl-propyl]pyrimidine-4-carboxylic acid CAS Name: 5-[1-[[3-(4-chlorophenyl)-2-oxobutyl]amino]-2-methylpropyl]-4-pyrimidinecarboxylic acid IUPAC Name: 5-[1-[[3-(4-chlorophenyl)-2-oxobutyl]amino]-2-methylpropyl]pyrimidine-4-carboxylic acid Traditional Name: 5-[1-[[3-(4-chlorophenyl)-2-keto-butyl]amino]-2-methyl-propyl]pyrimidine-4-carboxylic acid Formula: C19H22ClN3O3 MolecularWeight: 375.84928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CN=CN=C1C(=O)O)NCC(=O)C(C)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)C(C1=CN=CN=C1C(=O)O)NCC(=O)C(C)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H22ClN3O3/c1-11(2)17(15-8-21-10-23-18(15)19(25)26)22-9-16(24)12(3)13-4-6-14(20)7-5-13/h4-8,10-12,17,22H,9H2,1-3H3,(H,25,26)