2-[[4-[(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)methyl]phenyl]sulfonylamino]-3-oxidanyl-propanoate

Systemtic Name: 2-[[4-[(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)methyl]phenyl]sulfonylamino]-3-oxidanyl-propanoate Openeye Name: 3-hydroxy-2-[[4-[(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)methyl]phenyl]sulfonylamino]propanoate CAS Name: 3-hydroxy-2-[[4-[(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)methyl]phenyl]sulfonylamino]propanoate IUPAC Name: 3-hydroxy-2-[[4-[(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)methyl]phenyl]sulfonylamino]propanoate Traditional Name: 3-hydroxy-2-[[4-[(7-keto-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)methyl]phenyl]sulfonylamino]propionate Formula: C19H22N5O6S- MolecularWeight: 448.47288

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)CC3=CC=C(C=C3)S(=O)(=O)NC(CO)C(=O)[O-])C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)CC3=CC=C(C=C3)S(=O)(=O)NC(CO)C(=O)[O-])C

InChI

InChI=1S/C19H23N5O6S/c1-3-4-13-16-17(24(2)22-13)18(26)21-15(20-16)9-11-5-7-12(8-6-11)31(29,30)23-14(10-25)19(27)28/h5-8,14,23,25H,3-4,9-10H2,1-2H3,(H,27,28)(H,20,21,26)/p-1