1-azanyl-N-ethyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-5-carboxamide

Systemtic Name: 1-azanyl-N-ethyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-5-carboxamide Openeye Name: 1-amino-N-ethyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-5-carboxamide CAS Name: 1-amino-N-ethyl-1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazol-1-iumcarboxamide IUPAC Name: 1-amino-N-ethyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-5-carboxamide Traditional Name: 1-amino-N-ethyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-5-carboxamide Formula: C22H24N7O+ MolecularWeight: 402.47226

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC2=C(C=C1)[N+](C=N2)(C3=NC(=NC=C3)NC(C)C4=CC=CC=C4)N

Isomeric SMILES

CCNC(=O)C1=CC2=C(C=C1)[N+](C=N2)(C3=NC(=NC=C3)NC(C)C4=CC=CC=C4)N

InChI

InChI=1S/C22H23N7O/c1-3-24-21(30)17-9-10-19-18(13-17)26-14-29(19,23)20-11-12-25-22(28-20)27-15(2)16-7-5-4-6-8-16/h4-15H,3,23H2,1-2H3,(H-,24,25,27,28,30)/p+1