2-[[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-ium-1-yl]methyl]quinazolin-4-amine

Systemtic Name: 2-[[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-ium-1-yl]methyl]quinazolin-4-amine Openeye Name: 2-[[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazin-1-ium-1-yl]methyl]quinazolin-4-amine CAS Name: 2-[[4-(6-methyl-2-propan-2-yl-4-pyrimidin-3-iumyl)-1-piperazin-1-iumyl]methyl]-4-quinazolinamine IUPAC Name: 2-[[4-(6-methyl-2-propan-2-ylpyrimidin-3-ium-4-yl)piperazin-1-ium-1-yl]methyl]quinazolin-4-amine Traditional Name: [2-[[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazin-1-ium-1-yl]methyl]quinazolin-4-yl]amine Formula: C21H29N7+2 MolecularWeight: 379.50186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)C(C)C)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)C(C)C)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C21H27N7/c1-14(2)21-23-15(3)12-19(26-21)28-10-8-27(9-11-28)13-18-24-17-7-5-4-6-16(17)20(22)25-18/h4-7,12,14H,8-11,13H2,1-3H3,(H2,22,24,25)/p+2