2-methyl-3-phenyl-5-propan-2-yl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine

Systemtic Name: 2-methyl-3-phenyl-5-propan-2-yl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine Openeye Name: 5-isopropyl-2-methyl-3-phenyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine CAS Name: 2-methyl-3-phenyl-5-propan-2-yl-7-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pyrazolo[1,5-a]pyrimidine IUPAC Name: 2-methyl-3-phenyl-5-propan-2-yl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine Traditional Name: 5-isopropyl-2-methyl-3-phenyl-7-(4-pyridin-1-ium-2-ylpiperazino)pyrazolo[1,5-a]pyrimidine Formula: C25H29N6+ MolecularWeight: 413.53796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C(C)C)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C(C)C)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C25H28N6/c1-18(2)21-17-23(30-15-13-29(14-16-30)22-11-7-8-12-26-22)31-25(27-21)24(19(3)28-31)20-9-5-4-6-10-20/h4-12,17-18H,13-16H2,1-3H3/p+1