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

Systemtic Name: N1,N4-bis[4-[2,4-bis(azanyl)-1-ethyl-pyrimidin-1-ium-5-yl]phenyl]benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[4-(2,4-diamino-1-ethyl-pyrimidin-1-ium-5-yl)phenyl]terephthalamide CAS Name: N1,N4-bis[4-(2,4-diamino-1-ethyl-5-pyrimidin-1-iumyl)phenyl]benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[4-(2,4-diamino-1-ethylpyrimidin-1-ium-5-yl)phenyl]benzene-1,4-dicarboxamide Traditional Name: N,N'-bis[4-(2,4-diamino-1-ethyl-pyrimidin-1-ium-5-yl)phenyl]terephthalamide Formula: C32H34N10O2+2 MolecularWeight: 590.67816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[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)CC)N)N

Isomeric SMILES

CC[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)CC)N)N

InChI

InChI=1S/C32H32N10O2/c1-3-41-17-25(27(33)39-31(41)35)19-9-13-23(14-10-19)37-29(43)21-5-7-22(8-6-21)30(44)38-24-15-11-20(12-16-24)26-18-42(4-2)32(36)40-28(26)34/h5-18H,3-4H2,1-2H3,(H8,33,34,35,36,37,38,39,40,43,44)/p+2