6-methyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]-5-(pyrrolidin-2-ylmethyl)benzimidazol-1-ium-1-amine

Systemtic Name: 6-methyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]-5-(pyrrolidin-2-ylmethyl)benzimidazol-1-ium-1-amine Openeye Name: 6-methyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]-5-(pyrrolidin-2-ylmethyl)benzimidazol-1-ium-1-amine CAS Name: 6-methyl-1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-(2-pyrrolidinylmethyl)-1-benzimidazol-1-iumamine IUPAC Name: 6-methyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]-5-(pyrrolidin-2-ylmethyl)benzimidazol-1-ium-1-amine Traditional Name: [4-[1-amino-6-methyl-5-(pyrrolidin-2-ylmethyl)benzimidazol-1-ium-1-yl]pyrimidin-2-yl]-(1-phenylethyl)amine Formula: C25H30N7+ MolecularWeight: 428.5526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1CC3CCCN3)N=C[N+]2(C4=NC(=NC=C4)NC(C)C5=CC=CC=C5)N

Isomeric SMILES

CC1=CC2=C(C=C1CC3CCCN3)N=C[N+]2(C4=NC(=NC=C4)NC(C)C5=CC=CC=C5)N

InChI

InChI=1S/C25H30N7/c1-17-13-23-22(15-20(17)14-21-9-6-11-27-21)29-16-32(23,26)24-10-12-28-25(31-24)30-18(2)19-7-4-3-5-8-19/h3-5,7-8,10,12-13,15-16,18,21,27H,6,9,11,14,26H2,1-2H3,(H,28,30,31)/q+1