4-[(5-methyl-1H-pyrazol-3-yl)amino]-1-oxidanylidene-2-propan-2-yl-phthalazine-6-carboxylic acid

Systemtic Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-1-oxidanylidene-2-propan-2-yl-phthalazine-6-carboxylic acid Openeye Name: 2-isopropyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-1-oxo-phthalazine-6-carboxylic acid CAS Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-1-oxo-2-propan-2-yl-6-phthalazinecarboxylic acid IUPAC Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-1-oxo-2-propan-2-ylphthalazine-6-carboxylic acid Traditional Name: 2-isopropyl-1-keto-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazine-6-carboxylic acid Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NN(C(=O)C3=C2C=C(C=C3)C(=O)O)C(C)C

Isomeric SMILES

CC1=CC(=NN1)NC2=NN(C(=O)C3=C2C=C(C=C3)C(=O)O)C(C)C

InChI

InChI=1S/C16H17N5O3/c1-8(2)21-15(22)11-5-4-10(16(23)24)7-12(11)14(20-21)17-13-6-9(3)18-19-13/h4-8H,1-3H3,(H,23,24)(H2,17,18,19,20)