4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 1-phenyl-4-[4-(p-tolylmethyl)-1,4-diazepan-4-ium-1-yl]pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-(4-methylbenzyl)-1,4-diazepan-4-ium-1-yl]-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C24H27N6+ MolecularWeight: 399.51138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C24H26N6/c1-19-8-10-20(11-9-19)17-28-12-5-13-29(15-14-28)23-22-16-27-30(24(22)26-18-25-23)21-6-3-2-4-7-21/h2-4,6-11,16,18H,5,12-15,17H2,1H3/p+1