N-[2-(4-methoxyphenoxy)ethyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine

Systemtic Name: N-[2-(4-methoxyphenoxy)ethyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine Openeye Name: N-[2-(4-methoxyphenoxy)ethyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine CAS Name: N-[2-(4-methoxyphenoxy)ethyl]-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-quinazolin-3-iumamine IUPAC Name: N-[2-(4-methoxyphenoxy)ethyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine Traditional Name: 2-(4-methoxyphenoxy)ethyl-[2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]quinazolin-3-ium-4-yl]amine Formula: C26H31N7O2+2 MolecularWeight: 473.57004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCNC2=[NH+]C(=NC3=CC=CC=C32)C[NH+]4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

COC1=CC=C(C=C1)OCCNC2=[NH+]C(=NC3=CC=CC=C32)C[NH+]4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C26H29N7O2/c1-34-20-7-9-21(10-8-20)35-18-13-27-25-22-5-2-3-6-23(22)30-24(31-25)19-32-14-16-33(17-15-32)26-28-11-4-12-29-26/h2-12H,13-19H2,1H3,(H,27,30,31)/p+2