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

Systemtic Name: 2-[[9-ethyl-6-[(4-methylphenyl)amino]purin-2-yl]amino]ethylazanium Openeye Name: 2-[[9-ethyl-6-(4-methylanilino)purin-2-yl]amino]ethylammonium CAS Name: 2-[[9-ethyl-6-(4-methylanilino)-2-purinyl]amino]ethylammonium IUPAC Name: 2-[[9-ethyl-6-(4-methylanilino)purin-2-yl]amino]ethylazanium Traditional Name: 2-[[9-ethyl-6-(p-toluidino)purin-2-yl]amino]ethylammonium Formula: C16H22N7+ MolecularWeight: 312.39278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N7/c1-3-23-10-19-13-14(20-12-6-4-11(2)5-7-12)21-16(18-9-8-17)22-15(13)23/h4-7,10H,3,8-9,17H2,1-2H3,(H2,18,20,21,22)/p+1