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

Systemtic Name: 5-[2-ethoxy-5-(2-piperazin-1-ium-1-ylethanoyl)phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[2-ethoxy-5-(2-piperazin-1-ium-1-ylacetyl)phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[2-ethoxy-5-[1-oxo-2-(1-piperazin-1-iumyl)ethyl]phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[2-ethoxy-5-(2-piperazin-1-ium-1-ylacetyl)phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[2-ethoxy-5-(2-piperazin-1-ium-1-ylacetyl)phenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C23H31N6O3+ MolecularWeight: 439.53064

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)C(=O)C[NH+]4CCNCC4)OCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)C(=O)C[NH+]4CCNCC4)OCC)C

InChI

InChI=1S/C23H30N6O3/c1-4-6-17-20-21(28(3)27-17)23(31)26-22(25-20)16-13-15(7-8-19(16)32-5-2)18(30)14-29-11-9-24-10-12-29/h7-8,13,24H,4-6,9-12,14H2,1-3H3,(H,25,26,31)/p+1