N1,N4-bis[4-[2,4-bis(azanyl)-1-propyl-pyrimidin-1-ium-5-yl]phenyl]benzene-1,4-dicarboxamide

Systemtic Name: N1,N4-bis[4-[2,4-bis(azanyl)-1-propyl-pyrimidin-1-ium-5-yl]phenyl]benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[4-(2,4-diamino-1-propyl-pyrimidin-1-ium-5-yl)phenyl]terephthalamide CAS Name: N1,N4-bis[4-(2,4-diamino-1-propyl-5-pyrimidin-1-iumyl)phenyl]benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[4-(2,4-diamino-1-propylpyrimidin-1-ium-5-yl)phenyl]benzene-1,4-dicarboxamide Traditional Name: N,N'-bis[4-(2,4-diamino-1-propyl-pyrimidin-1-ium-5-yl)phenyl]terephthalamide Formula: C34H38N10O2+2 MolecularWeight: 618.73132

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(N=C(C(=C1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=C[N+](=C(N=C5N)N)CCC)N)N

Isomeric SMILES

CCC[N+]1=C(N=C(C(=C1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=C[N+](=C(N=C5N)N)CCC)N)N

InChI

InChI=1S/C34H36N10O2/c1-3-17-43-19-27(29(35)41-33(43)37)21-9-13-25(14-10-21)39-31(45)23-5-7-24(8-6-23)32(46)40-26-15-11-22(12-16-26)28-20-44(18-4-2)34(38)42-30(28)36/h5-16,19-20H,3-4,17-18H2,1-2H3,(H8,35,36,37,38,39,40,41,42,45,46)/p+2