2-pyridin-3-yl-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]quinazolin-4-amine

Systemtic Name: 2-pyridin-3-yl-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]quinazolin-4-amine Openeye Name: 2-(3-pyridyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]quinazolin-4-amine CAS Name: 2-(3-pyridinyl)-N-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propyl]-4-quinazolinamine IUPAC Name: 2-pyridin-3-yl-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]quinazolin-4-amine Traditional Name: [2-(3-pyridyl)quinazolin-4-yl]-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propyl]amine Formula: C24H27N8+ MolecularWeight: 427.52478

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCNC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CCCNC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4)C5=NC=CC=N5

InChI

InChI=1S/C24H26N8/c1-2-8-21-20(7-1)23(30-22(29-21)19-6-3-9-25-18-19)26-12-5-13-31-14-16-32(17-15-31)24-27-10-4-11-28-24/h1-4,6-11,18H,5,12-17H2,(H,26,29,30)/p+1