2,4-bis(azanyl)-4-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)butane-1-sulfonate

Systemtic Name: 2,4-bis(azanyl)-4-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)butane-1-sulfonate Openeye Name: 2,4-diamino-4-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)butane-1-sulfonate CAS Name: 2,4-diamino-4-[4-(3-pyrazolo[1,5-b]pyridazinyl)-2-pyrimidinyl]-1-butanesulfonate IUPAC Name: 2,4-diamino-4-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)butane-1-sulfonate Traditional Name: 2,4-diamino-4-(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)butane-1-sulfonate Formula: C14H16N7O3S- MolecularWeight: 362.38694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=NN2N=C1)C3=NC(=NC=C3)C(CC(CS(=O)(=O)[O-])N)N

Isomeric SMILES

C1=CC2=C(C=NN2N=C1)C3=NC(=NC=C3)C(CC(CS(=O)(=O)[O-])N)N

InChI

InChI=1S/C14H17N7O3S/c15-9(8-25(22,23)24)6-11(16)14-17-5-3-12(20-14)10-7-19-21-13(10)2-1-4-18-21/h1-5,7,9,11H,6,8,15-16H2,(H,22,23,24)/p-1