3-[(5Z)-2,4-dimethyl-5-[(3-oxidanylidene-5-pyrimidin-4-yl-1,2-dihydropyrazol-4-yl)methylidene]pyrrol-3-yl]propanoic acid

Systemtic Name: 3-[(5Z)-2,4-dimethyl-5-[(3-oxidanylidene-5-pyrimidin-4-yl-1,2-dihydropyrazol-4-yl)methylidene]pyrrol-3-yl]propanoic acid Openeye Name: 3-[(5Z)-2,4-dimethyl-5-[(3-oxo-5-pyrimidin-4-yl-1,2-dihydropyrazol-4-yl)methylene]pyrrol-3-yl]propanoic acid CAS Name: 3-[(5Z)-2,4-dimethyl-5-[[3-oxo-5-(4-pyrimidinyl)-1,2-dihydropyrazol-4-yl]methylidene]-3-pyrrolyl]propanoic acid IUPAC Name: 3-[(5Z)-2,4-dimethyl-5-[(3-oxo-5-pyrimidin-4-yl-1,2-dihydropyrazol-4-yl)methylidene]pyrrol-3-yl]propanoic acid Traditional Name: 3-[(5Z)-5-[[3-keto-5-(4-pyrimidyl)-3-pyrazolin-4-yl]methylene]-2,4-dimethyl-pyrrol-3-yl]propionic acid Formula: C17H17N5O3 MolecularWeight: 339.34858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC1=CC2=C(NNC2=O)C3=NC=NC=C3)C)CCC(=O)O

Isomeric SMILES

CC\1=C(C(=N/C1=C\C2=C(NNC2=O)C3=NC=NC=C3)C)CCC(=O)O

InChI

InChI=1S/C17H17N5O3/c1-9-11(3-4-15(23)24)10(2)20-14(9)7-12-16(21-22-17(12)25)13-5-6-18-8-19-13/h5-8H,3-4H2,1-2H3,(H,23,24)(H2,21,22,25)/b14-7-