4-(4-ethylpiperazin-4-ium-1-yl)-1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-1-(o-tolyl)pyrazolo[3,4-d]pyrimidine CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)-1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-1-(o-tolyl)pyrazolo[3,4-d]pyrimidine Formula: C18H23N6+ MolecularWeight: 323.41542

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC=NC3=C2C=NN3C4=CC=CC=C4C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC=NC3=C2C=NN3C4=CC=CC=C4C

InChI

InChI=1S/C18H22N6/c1-3-22-8-10-23(11-9-22)17-15-12-21-24(18(15)20-13-19-17)16-7-5-4-6-14(16)2/h4-7,12-13H,3,8-11H2,1-2H3/p+1