5-(2-methylpropyl)-1-(4-oxidanylidene-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)pyrazole-3-carboxylic acid

Systemtic Name: 5-(2-methylpropyl)-1-(4-oxidanylidene-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)pyrazole-3-carboxylic acid Openeye Name: 5-isobutyl-1-(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)pyrazole-3-carboxylic acid CAS Name: 5-(2-methylpropyl)-1-(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)-3-pyrazolecarboxylic acid IUPAC Name: 5-(2-methylpropyl)-1-(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)pyrazole-3-carboxylic acid Traditional Name: 5-isobutyl-1-(4-keto-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)pyrazole-3-carboxylic acid Formula: C16H20N4O3 MolecularWeight: 316.355

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=NN1C2=NC(=O)C3=C(N2)CCCC3)C(=O)O

Isomeric SMILES

CC(C)CC1=CC(=NN1C2=NC(=O)C3=C(N2)CCCC3)C(=O)O

InChI

InChI=1S/C16H20N4O3/c1-9(2)7-10-8-13(15(22)23)19-20(10)16-17-12-6-4-3-5-11(12)14(21)18-16/h8-9H,3-7H2,1-2H3,(H,22,23)(H,17,18,21)