4-(4-ethoxy-3-{1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl}benzenesulfonyl)-1-methylpiperazin-1-ium-1-olate

CAS: 1094598-75-0

Formula: C22H30N6O5S

SMILES: CCCC1=NN(C)C2=C1N=C(NC2=O)C1=CC(=CC=C1OCC)S(=O)(=O)N1CC[N+](C)([O-])CC1

IUPAC: 4-(4-ethoxy-3-{1-methyl-7-oxo-3-propyl-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-5-yl}benzenesulfonyl)-1-methylpiperazin-1-ium-1-olate

InChI: InChI=1S/C22H30N6O5S/c1-5-7-17-19-20(26(3)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)33-6-2)34(31,32)27-10-12-28(4,30)13-11-27/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)

Composition: C (53.86%), H (6.16%), N (17.13%), O (16.31%), S (6.54%)

Molar Mass: 490.58

Atom Count: 64

Heavy Atom Count: 34