2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]-2-oxo-acetic acid CAS Name: 2-[[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]amino]-2-oxoacetic acid IUPAC Name: 2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]-2-oxoacetic acid Traditional Name: 2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]-2-keto-acetic acid Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C16H17N5O4/c1-10(22)17-7-8-18-12-9-13(21-15(23)16(24)25)20-14(19-12)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,17,22)(H,24,25)(H2,18,19,20,21,23)