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

Systemtic Name: N1,N4-bis[4-[2,4-bis(azanyl)-1-methyl-pyrimidin-1-ium-5-yl]phenyl]benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[4-(2,4-diamino-1-methyl-pyrimidin-1-ium-5-yl)phenyl]terephthalamide CAS Name: N1,N4-bis[4-(2,4-diamino-1-methyl-5-pyrimidin-1-iumyl)phenyl]benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[4-(2,4-diamino-1-methylpyrimidin-1-ium-5-yl)phenyl]benzene-1,4-dicarboxamide Traditional Name: N,N'-bis[4-(2,4-diamino-1-methyl-pyrimidin-1-ium-5-yl)phenyl]terephthalamide Formula: C30H30N10O2+2 MolecularWeight: 562.625

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Descriptors Computed from Structure

Canonical SMILES:

C[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)C)N)N

Isomeric SMILES

C[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)C)N)N

InChI

InChI=1S/C30H28N10O2/c1-39-15-23(25(31)37-29(39)33)17-7-11-21(12-8-17)35-27(41)19-3-5-20(6-4-19)28(42)36-22-13-9-18(10-14-22)24-16-40(2)30(34)38-26(24)32/h3-16H,1-2H3,(H8,31,32,33,34,35,36,37,38,41,42)/p+2