[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino] 2-oxidanylideneethanoate

Systemtic Name: [[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino] 2-oxidanylideneethanoate Openeye Name: [[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino] 2-oxoacetate CAS Name: 2-oxoacetic acid [[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]amino] ester IUPAC Name: [[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino] 2-oxoacetate Traditional Name: 2-ketoacetic acid [[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino] ester Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=CC(=NC(=N1)C2=CC=CC=C2)NOC(=O)C=O

Isomeric SMILES

CC(=O)NCCNC1=CC(=NC(=N1)C2=CC=CC=C2)NOC(=O)C=O

InChI

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