2-[(6E)-6-(2-azanyl-6-piperidin-3-yl-1H-pyrimidin-4-ylidene)-5-oxidanylidene-cyclohexa-1,3-dien-1-yl]oxy-2-methyl-propanoic acid

Systemtic Name: 2-[(6E)-6-(2-azanyl-6-piperidin-3-yl-1H-pyrimidin-4-ylidene)-5-oxidanylidene-cyclohexa-1,3-dien-1-yl]oxy-2-methyl-propanoic acid Openeye Name: 2-[(6E)-6-[2-amino-6-(3-piperidyl)-1H-pyrimidin-4-ylidene]-5-oxo-cyclohexa-1,3-dien-1-yl]oxy-2-methyl-propanoic acid CAS Name: 2-[[(6E)-6-[2-amino-6-(3-piperidinyl)-1H-pyrimidin-4-ylidene]-5-oxo-1-cyclohexa-1,3-dienyl]oxy]-2-methylpropanoic acid IUPAC Name: 2-[(6E)-6-(2-amino-6-piperidin-3-yl-1H-pyrimidin-4-ylidene)-5-oxocyclohexa-1,3-dien-1-yl]oxy-2-methylpropanoic acid Traditional Name: 2-[(6E)-6-[2-amino-6-(3-piperidyl)-1H-pyrimidin-4-ylidene]-5-keto-cyclohexa-1,3-dien-1-yl]oxy-2-methyl-propionic acid Formula: C19H24N4O4 MolecularWeight: 372.41826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=CC(=O)C1=C2C=C(NC(=N2)N)C3CCCNC3

Isomeric SMILES

CC(C)(C(=O)O)OC\1=CC=CC(=O)/C1=C/2\C=C(NC(=N2)N)C3CCCNC3

InChI

InChI=1S/C19H24N4O4/c1-19(2,17(25)26)27-15-7-3-6-14(24)16(15)13-9-12(22-18(20)23-13)11-5-4-8-21-10-11/h3,6-7,9,11,21H,4-5,8,10H2,1-2H3,(H,25,26)(H3,20,22,23)/b16-13-