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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC=NC(=C1)C2=CC(=CC=C2)C(=O)CC(=O)O

Isomeric SMILES

COCCNC1=NC=NC(=C1)C2=CC(=CC=C2)C(=O)CC(=O)O

InChI

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