2-[[6-[(3-cyanophenyl)amino]-9-ethyl-purin-2-yl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[6-[(3-cyanophenyl)amino]-9-ethyl-purin-2-yl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[6-(3-cyanoanilino)-9-ethyl-purin-2-yl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[6-(3-cyanoanilino)-9-ethyl-2-purinyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[6-(3-cyanoanilino)-9-ethylpurin-2-yl]amino]ethyl-dimethylazanium Traditional Name: 2-[[6-(3-cyanoanilino)-9-ethyl-purin-2-yl]amino]ethyl-dimethyl-ammonium Formula: C18H23N8+ MolecularWeight: 351.42882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N8/c1-4-26-12-21-15-16(22-14-7-5-6-13(10-14)11-19)23-18(24-17(15)26)20-8-9-25(2)3/h5-7,10,12H,4,8-9H2,1-3H3,(H2,20,22,23,24)/p+1