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

Systemtic Name: 4-[(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)methyl]benzenesulfonic acid Openeye Name: 4-[(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)methyl]benzenesulfonic acid CAS Name: 4-[(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)methyl]benzenesulfonic acid IUPAC Name: 4-[(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)methyl]benzenesulfonic acid Traditional Name: 4-[(7-keto-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)methyl]besylic acid Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O4S/c1-3-4-12-14-15(20(2)19-12)16(21)18-13(17-14)9-10-5-7-11(8-6-10)25(22,23)24/h5-8H,3-4,9H2,1-2H3,(H,17,18,21)(H,22,23,24)