4-(4-methylpiperazin-1-yl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-3-ium

Systemtic Name: 4-(4-methylpiperazin-1-yl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-3-ium Openeye Name: 4-(4-methylpiperazin-1-yl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-3-ium CAS Name: 4-(4-methyl-1-piperazinyl)-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]quinazolin-3-ium IUPAC Name: 4-(4-methylpiperazin-1-yl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinazolin-3-ium Traditional Name: 4-(4-methylpiperazino)-2-[[4-(2-pyrimidyl)piperazino]methyl]quinazolin-3-ium Formula: C22H29N8+ MolecularWeight: 405.51926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=[NH+]C(=NC3=CC=CC=C32)CN4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CN1CCN(CC1)C2=[NH+]C(=NC3=CC=CC=C32)CN4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C22H28N8/c1-27-9-13-29(14-10-27)21-18-5-2-3-6-19(18)25-20(26-21)17-28-11-15-30(16-12-28)22-23-7-4-8-24-22/h2-8H,9-17H2,1H3/p+1