5-tert-butyl-2-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 5-tert-butyl-2-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 5-tert-butyl-2-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 5-tert-butyl-2-methyl-7-(4-methyl-1-piperazin-4-iumyl)-3-phenylpyrazolo[1,5-a]pyrimidine IUPAC Name: 5-tert-butyl-2-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 5-tert-butyl-2-methyl-7-(4-methylpiperazin-4-ium-1-yl)-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C22H30N5+ MolecularWeight: 364.5071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C(C)(C)C)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C(C)(C)C)N4CC[NH+](CC4)C

InChI

InChI=1S/C22H29N5/c1-16-20(17-9-7-6-8-10-17)21-23-18(22(2,3)4)15-19(27(21)24-16)26-13-11-25(5)12-14-26/h6-10,15H,11-14H2,1-5H3/p+1