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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-quinazolin-3-iumamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine Traditional Name: homoveratryl-[2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]quinazolin-3-ium-4-yl]amine Formula: C27H33N7O2+2 MolecularWeight: 487.59662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=[NH+]C(=NC3=CC=CC=C32)C[NH+]4CCN(CC4)C5=NC=CC=N5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=[NH+]C(=NC3=CC=CC=C32)C[NH+]4CCN(CC4)C5=NC=CC=N5)OC

InChI

InChI=1S/C27H31N7O2/c1-35-23-9-8-20(18-24(23)36-2)10-13-28-26-21-6-3-4-7-22(21)31-25(32-26)19-33-14-16-34(17-15-33)27-29-11-5-12-30-27/h3-9,11-12,18H,10,13-17,19H2,1-2H3,(H,28,31,32)/p+2