5-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-6-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-6-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-6-methyl-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-6-methyl-1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-6-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-6-methyl-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C25H29N6O+ MolecularWeight: 429.53736

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)N3C(=NC4=C(C3=O)C=NN4C5=CC=C(C=C5)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)N3C(=NC4=C(C3=O)C=NN4C5=CC=C(C=C5)C)C

InChI

InChI=1S/C25H28N6O/c1-4-28-13-15-29(16-14-28)20-9-11-21(12-10-20)30-19(3)27-24-23(25(30)32)17-26-31(24)22-7-5-18(2)6-8-22/h5-12,17H,4,13-16H2,1-3H3/p+1