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

Systemtic Name: 1-azanyl-N-butyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-5-carboxamide Openeye Name: 1-amino-N-butyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-5-carboxamide CAS Name: 1-amino-N-butyl-1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazol-1-iumcarboxamide IUPAC Name: 1-amino-N-butyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-5-carboxamide Traditional Name: 1-amino-N-butyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-1-ium-5-carboxamide Formula: C24H28N7O+ MolecularWeight: 430.52542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N7O/c1-3-4-13-26-23(32)19-10-11-21-20(15-19)28-16-31(21,25)22-12-14-27-24(30-22)29-17(2)18-8-6-5-7-9-18/h5-12,14-17H,3-4,13,25H2,1-2H3,(H-,26,27,29,30,32)/p+1