2-[4-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]pyrimidine-5-carboxylic acid

Systemtic Name: 2-[4-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-1-yl]pyrimidine-5-carboxylic acid Openeye Name: 2-[4-[2-(2-methylanilino)-2-oxo-ethyl]piperazin-1-yl]pyrimidine-5-carboxylic acid CAS Name: 2-[4-[2-(2-methylanilino)-2-oxoethyl]-1-piperazinyl]-5-pyrimidinecarboxylic acid IUPAC Name: 2-[4-[2-(2-methylanilino)-2-oxoethyl]piperazin-1-yl]pyrimidine-5-carboxylic acid Traditional Name: 2-[4-[2-keto-2-(o-toluidino)ethyl]piperazino]pyrimidine-5-carboxylic acid Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CN2CCN(CC2)C3=NC=C(C=N3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CN2CCN(CC2)C3=NC=C(C=N3)C(=O)O

InChI

InChI=1S/C18H21N5O3/c1-13-4-2-3-5-15(13)21-16(24)12-22-6-8-23(9-7-22)18-19-10-14(11-20-18)17(25)26/h2-5,10-11H,6-9,12H2,1H3,(H,21,24)(H,25,26)