4-[(2-azanyl-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-3-yl)diazenyl]benzenesulfonate

Systemtic Name: 4-[(2-azanyl-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-3-yl)diazenyl]benzenesulfonate Openeye Name: 4-(2-amino-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-3-yl)azobenzenesulfonate CAS Name: 4-[(2-amino-5,7-dimethyl-3-pyrazolo[1,5-a]pyrimidinyl)azo]benzenesulfonate IUPAC Name: 4-[(2-amino-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)diazenyl]benzenesulfonate Traditional Name: 4-(2-amino-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-3-yl)azobesylate Formula: C14H13N6O3S- MolecularWeight: 345.35642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C(C(=NN12)N)N=NC3=CC=C(C=C3)S(=O)(=O)[O-])C

Isomeric SMILES

CC1=CC(=NC2=C(C(=NN12)N)N=NC3=CC=C(C=C3)S(=O)(=O)[O-])C

InChI

InChI=1S/C14H14N6O3S/c1-8-7-9(2)20-14(16-8)12(13(15)19-20)18-17-10-3-5-11(6-4-10)24(21,22)23/h3-7H,1-2H3,(H2,15,19)(H,21,22,23)/p-1