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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-4-(4-ethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Openeye Name: 1-[(4-chlorophenyl)methyl]-4-(4-ethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine CAS Name: 1-[(4-chlorophenyl)methyl]-4-(4-ethyl-1-piperazin-4-iumyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-[(4-chlorophenyl)methyl]-4-(4-ethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Traditional Name: 1-(4-chlorobenzyl)-4-(4-ethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Formula: C18H22ClN6+ MolecularWeight: 357.86048

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC=NC3=C2C=NN3CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC=NC3=C2C=NN3CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H21ClN6/c1-2-23-7-9-24(10-8-23)17-16-11-22-25(18(16)21-13-20-17)12-14-3-5-15(19)6-4-14/h3-6,11,13H,2,7-10,12H2,1H3/p+1