4-[(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)methyl]benzoic acid

Systemtic Name: 4-[(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)methyl]benzoic acid Openeye Name: 4-[(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)methyl]benzoic acid CAS Name: 4-[(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)methyl]benzoic acid IUPAC Name: 4-[(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)methyl]benzoic acid Traditional Name: 4-[(7-keto-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)methyl]benzoic acid Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)CC3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)CC3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C17H18N4O3/c1-3-4-12-14-15(21(2)20-12)16(22)19-13(18-14)9-10-5-7-11(8-6-10)17(23)24/h5-8H,3-4,9H2,1-2H3,(H,23,24)(H,18,19,22)