N2-(3-azanylpropyl)-N6-phenyl-N9-(phenylmethyl)-9-propan-2-yl-purin-9-ium-2,6,9-triamine

Systemtic Name: N2-(3-azanylpropyl)-N6-phenyl-N9-(phenylmethyl)-9-propan-2-yl-purin-9-ium-2,6,9-triamine Openeye Name: N2-(3-aminopropyl)-N9-benzyl-9-isopropyl-N6-phenyl-purin-9-ium-2,6,9-triamine CAS Name: N2-(3-aminopropyl)-N6-phenyl-N9-(phenylmethyl)-9-propan-2-ylpurin-9-ium-2,6,9-triamine IUPAC Name: 2-N-(3-aminopropyl)-9-N-benzyl-6-N-phenyl-9-propan-2-ylpurin-9-ium-2,6,9-triamine Traditional Name: 3-aminopropyl-[6-anilino-9-(benzylamino)-9-isopropyl-purin-9-ium-2-yl]amine Formula: C24H31N8+ MolecularWeight: 431.55654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1(C=NC2=C(N=C(N=C21)NCCCN)NC3=CC=CC=C3)NCC4=CC=CC=C4

Isomeric SMILES

CC(C)[N+]1(C=NC2=C(N=C(N=C21)NCCCN)NC3=CC=CC=C3)NCC4=CC=CC=C4

InChI

InChI=1S/C24H31N8/c1-18(2)32(28-16-19-10-5-3-6-11-19)17-27-21-22(29-20-12-7-4-8-13-20)30-24(31-23(21)32)26-15-9-14-25/h3-8,10-13,17-18,28H,9,14-16,25H2,1-2H3,(H2,26,29,30,31)/q+1