4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-1-phenethyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-1-phenethyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-1-phenethyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-(4-ethyl-1-piperazin-4-iumyl)-6-methyl-1-phenethylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-1-phenethylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-1-phenethyl-pyrazolo[3,4-d]pyrimidine Formula: C20H27N6+ MolecularWeight: 351.46858

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC(=NC3=C2C=NN3CCC4=CC=CC=C4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC(=NC3=C2C=NN3CCC4=CC=CC=C4)C

InChI

InChI=1S/C20H26N6/c1-3-24-11-13-25(14-12-24)19-18-15-21-26(20(18)23-16(2)22-19)10-9-17-7-5-4-6-8-17/h4-8,15H,3,9-14H2,1-2H3/p+1