1-(2,5-dimethylphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-(2,5-dimethylphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Openeye Name: 1-(2,5-dimethylphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine CAS Name: 1-(2,5-dimethylphenyl)-4-(4-ethyl-1-piperazin-4-iumyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-(2,5-dimethylphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Traditional Name: 1-(2,5-dimethylphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Formula: C19H25N6+ MolecularWeight: 337.442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N6/c1-4-23-7-9-24(10-8-23)18-16-12-22-25(19(16)21-13-20-18)17-11-14(2)5-6-15(17)3/h5-6,11-13H,4,7-10H2,1-3H3/p+1