2-[5-cyano-2-methyl-6-oxidanylidene-4-(pyridin-3-ylmethylamino)pyrimidin-1-yl]ethanoic acid

Systemtic Name: 2-[5-cyano-2-methyl-6-oxidanylidene-4-(pyridin-3-ylmethylamino)pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[5-cyano-2-methyl-6-oxo-4-(3-pyridylmethylamino)pyrimidin-1-yl]acetic acid CAS Name: 2-[5-cyano-2-methyl-6-oxo-4-(3-pyridinylmethylamino)-1-pyrimidinyl]acetic acid IUPAC Name: 2-[5-cyano-2-methyl-6-oxo-4-(pyridin-3-ylmethylamino)pyrimidin-1-yl]acetic acid Traditional Name: 2-[5-cyano-6-keto-2-methyl-4-(3-pyridylmethylamino)pyrimidin-1-yl]acetic acid Formula: C14H13N5O3 MolecularWeight: 299.28472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=O)N1CC(=O)O)C#N)NCC2=CN=CC=C2

Isomeric SMILES

CC1=NC(=C(C(=O)N1CC(=O)O)C#N)NCC2=CN=CC=C2

InChI

InChI=1S/C14H13N5O3/c1-9-18-13(17-7-10-3-2-4-16-6-10)11(5-15)14(22)19(9)8-12(20)21/h2-4,6,17H,7-8H2,1H3,(H,20,21)