3-[[2-(2-azanylethylamino)-9-ethyl-purin-6-yl]amino]benzenecarbonitrile hydrochloride

Systemtic Name: 3-[[2-(2-azanylethylamino)-9-ethyl-purin-6-yl]amino]benzenecarbonitrile hydrochloride Openeye Name: 3-[[2-(2-aminoethylamino)-9-ethyl-purin-6-yl]amino]benzonitrile hydrochloride CAS Name: 3-[[2-(2-aminoethylamino)-9-ethyl-6-purinyl]amino]benzonitrile hydrochloride IUPAC Name: 3-[[2-(2-aminoethylamino)-9-ethylpurin-6-yl]amino]benzonitrile hydrochloride Traditional Name: 3-[[2-(2-aminoethylamino)-9-ethyl-purin-6-yl]amino]benzonitrile hydrochloride Formula: C16H19ClN8 MolecularWeight: 358.82866

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=CC(=C3)C#N)NCCN.Cl

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=CC(=C3)C#N)NCCN.Cl

InChI

InChI=1S/C16H18N8.ClH/c1-2-24-10-20-13-14(21-12-5-3-4-11(8-12)9-18)22-16(19-7-6-17)23-15(13)24;/h3-5,8,10H,2,6-7,17H2,1H3,(H2,19,21,22,23);1H