5-(2-ethoxy-5-piperazin-4-ium-1-ylsulfonyl-phenyl)-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-(2-ethoxy-5-piperazin-4-ium-1-ylsulfonyl-phenyl)-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-(2-ethoxy-5-piperazin-4-ium-1-ylsulfonyl-phenyl)-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[2-ethoxy-5-(1-piperazin-4-iumylsulfonyl)phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-(2-ethoxy-5-piperazin-4-ium-1-ylsulfonylphenyl)-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-(2-ethoxy-5-piperazin-4-ium-1-ylsulfonyl-phenyl)-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C21H29N6O4S+ MolecularWeight: 461.55776

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CC[NH2+]CC4)OCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CC[NH2+]CC4)OCC)C

InChI

InChI=1S/C21H28N6O4S/c1-4-6-16-18-19(26(3)25-16)21(28)24-20(23-18)15-13-14(7-8-17(15)31-5-2)32(29,30)27-11-9-22-10-12-27/h7-8,13,22H,4-6,9-12H2,1-3H3,(H,23,24,28)/p+1