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

Systemtic Name: 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-1H-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-1H-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-1H-pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-4-ium-1-yl]-1H-pyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-p-anisyl-1,4-diazepan-4-ium-1-yl)-1H-pyrazolo[3,4-d]pyrimidine Formula: C18H23N6O+ MolecularWeight: 339.41482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C3=NC=NC4=C3C=NN4

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C3=NC=NC4=C3C=NN4

InChI

InChI=1S/C18H22N6O/c1-25-15-5-3-14(4-6-15)12-23-7-2-8-24(10-9-23)18-16-11-21-22-17(16)19-13-20-18/h3-6,11,13H,2,7-10,12H2,1H3,(H,19,20,21,22)/p+1