1-(4-methoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-(4-methoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Openeye Name: 1-(4-methoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine CAS Name: 1-(4-methoxyphenyl)-4-(4-methyl-1-piperazin-4-iumyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-(4-methoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Traditional Name: 1-(4-methoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Formula: C17H21N6O+ MolecularWeight: 325.38824

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=NC3=C2C=NN3C4=CC=C(C=C4)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=NC3=C2C=NN3C4=CC=C(C=C4)OC

InChI

InChI=1S/C17H20N6O/c1-21-7-9-22(10-8-21)16-15-11-20-23(17(15)19-12-18-16)13-3-5-14(24-2)6-4-13/h3-6,11-12H,7-10H2,1-2H3/p+1