4-[4-[(4-tert-butylphenyl)methyl]piperazin-4-ium-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[4-[(4-tert-butylphenyl)methyl]piperazin-4-ium-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-[(4-tert-butylphenyl)methyl]piperazin-4-ium-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-[(4-tert-butylphenyl)methyl]-1-piperazin-4-iumyl]-1-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-[(4-tert-butylphenyl)methyl]piperazin-4-ium-1-yl]-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-(4-tert-butylbenzyl)piperazin-4-ium-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C21H29N6+ MolecularWeight: 365.49516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=NC=NC4=C3C=NN4C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C21H28N6/c1-21(2,3)17-7-5-16(6-8-17)14-26-9-11-27(12-10-26)20-18-13-24-25(4)19(18)22-15-23-20/h5-8,13,15H,9-12,14H2,1-4H3/p+1