3-[3-[2-(2-hydroxyethylamino)-6-methyl-pyrimidin-4-yl]phenyl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[3-[2-(2-hydroxyethylamino)-6-methyl-pyrimidin-4-yl]phenyl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[3-[2-(2-hydroxyethylamino)-6-methyl-pyrimidin-4-yl]phenyl]-3-oxo-propanoic acid CAS Name: 3-[3-[2-(2-hydroxyethylamino)-6-methyl-4-pyrimidinyl]phenyl]-3-oxopropanoic acid IUPAC Name: 3-[3-[2-(2-hydroxyethylamino)-6-methylpyrimidin-4-yl]phenyl]-3-oxopropanoic acid Traditional Name: 3-[3-[2-(2-hydroxyethylamino)-6-methyl-pyrimidin-4-yl]phenyl]-3-keto-propionic acid Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC(=CC=C2)C(=O)CC(=O)O)NCCO

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC(=CC=C2)C(=O)CC(=O)O)NCCO

InChI

InChI=1S/C16H17N3O4/c1-10-7-13(19-16(18-10)17-5-6-20)11-3-2-4-12(8-11)14(21)9-15(22)23/h2-4,7-8,20H,5-6,9H2,1H3,(H,22,23)(H,17,18,19)