4-[[2-(methylamino)-2-oxidanylidene-ethyl]-(phenylmethyl)amino]-2-phenyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-[[2-(methylamino)-2-oxidanylidene-ethyl]-(phenylmethyl)amino]-2-phenyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[benzyl-[2-(methylamino)-2-oxo-ethyl]amino]-2-phenyl-pyrimidine-5-carboxylic acid CAS Name: 4-[[2-(methylamino)-2-oxoethyl]-(phenylmethyl)amino]-2-phenyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[benzyl-[2-(methylamino)-2-oxoethyl]amino]-2-phenylpyrimidine-5-carboxylic acid Traditional Name: 4-[benzyl-[2-keto-2-(methylamino)ethyl]amino]-2-phenyl-pyrimidine-5-carboxylic acid Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CN(CC1=CC=CC=C1)C2=NC(=NC=C2C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CNC(=O)CN(CC1=CC=CC=C1)C2=NC(=NC=C2C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H20N4O3/c1-22-18(26)14-25(13-15-8-4-2-5-9-15)20-17(21(27)28)12-23-19(24-20)16-10-6-3-7-11-16/h2-12H,13-14H2,1H3,(H,22,26)(H,27,28)