4-[[9-ethyl-6-[(4-methylphenyl)amino]purin-2-yl]amino]butylazanium

Systemtic Name: 4-[[9-ethyl-6-[(4-methylphenyl)amino]purin-2-yl]amino]butylazanium Openeye Name: 4-[[9-ethyl-6-(4-methylanilino)purin-2-yl]amino]butylammonium CAS Name: 4-[[9-ethyl-6-(4-methylanilino)-2-purinyl]amino]butylammonium IUPAC Name: 4-[[9-ethyl-6-(4-methylanilino)purin-2-yl]amino]butylazanium Traditional Name: 4-[[9-ethyl-6-(p-toluidino)purin-2-yl]amino]butylammonium Formula: C18H26N7+ MolecularWeight: 340.44594

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)C)NCCCC[NH3+]

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)C)NCCCC[NH3+]

InChI

InChI=1S/C18H25N7/c1-3-25-12-21-15-16(22-14-8-6-13(2)7-9-14)23-18(24-17(15)25)20-11-5-4-10-19/h6-9,12H,3-5,10-11,19H2,1-2H3,(H2,20,22,23,24)/p+1