N6-cyclopentyl-1-ethyl-N8,9-dimethyl-N8-propan-2-yl-purin-1-ium-6,8-diamine

Systemtic Name: N6-cyclopentyl-1-ethyl-N8,9-dimethyl-N8-propan-2-yl-purin-1-ium-6,8-diamine Openeye Name: N6-cyclopentyl-1-ethyl-N8-isopropyl-N8,9-dimethyl-purin-1-ium-6,8-diamine CAS Name: N6-cyclopentyl-1-ethyl-N8,9-dimethyl-N8-propan-2-ylpurin-1-ium-6,8-diamine IUPAC Name: 6-N-cyclopentyl-1-ethyl-8-N,9-dimethyl-8-N-propan-2-ylpurin-1-ium-6,8-diamine Traditional Name: [6-(cyclopentylamino)-1-ethyl-9-methyl-purin-1-ium-8-yl]-isopropyl-methyl-amine Formula: C17H29N6+ MolecularWeight: 317.45236

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C2=C(N=C1)N(C(=N2)N(C)C(C)C)C)NC3CCCC3

Isomeric SMILES

CC[N+]1=C(C2=C(N=C1)N(C(=N2)N(C)C(C)C)C)NC3CCCC3

InChI

InChI=1S/C17H28N6/c1-6-23-11-18-15-14(16(23)19-13-9-7-8-10-13)20-17(22(15)5)21(4)12(2)3/h11-13H,6-10H2,1-5H3/p+1