5-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxo-propyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[3-(4-methyl-1-piperazin-4-iumyl)-3-oxopropyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[3-(4-methylpiperazin-4-ium-1-yl)-3-oxopropyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[3-keto-3-(4-methylpiperazin-4-ium-1-yl)propyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H23N6O2+ MolecularWeight: 367.42492

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CCN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

InChI

InChI=1S/C19H22N6O2/c1-22-9-11-23(12-10-22)17(26)7-8-24-14-20-18-16(19(24)27)13-21-25(18)15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3/p+1