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

Systemtic Name: 3-[3-[2-(dimethylamino)-6-methyl-pyrimidin-4-yl]phenyl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[3-[2-(dimethylamino)-6-methyl-pyrimidin-4-yl]phenyl]-3-oxo-propanoic acid CAS Name: 3-[3-[2-(dimethylamino)-6-methyl-4-pyrimidinyl]phenyl]-3-oxopropanoic acid IUPAC Name: 3-[3-[2-(dimethylamino)-6-methylpyrimidin-4-yl]phenyl]-3-oxopropanoic acid Traditional Name: 3-[3-[2-(dimethylamino)-6-methyl-pyrimidin-4-yl]phenyl]-3-keto-propionic acid Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O3/c1-10-7-13(18-16(17-10)19(2)3)11-5-4-6-12(8-11)14(20)9-15(21)22/h4-8H,9H2,1-3H3,(H,21,22)