6-[(4-chlorophenyl)amino]-9-ethyl-purine-2-carbonitrile

Systemtic Name: 6-[(4-chlorophenyl)amino]-9-ethyl-purine-2-carbonitrile Openeye Name: 6-(4-chloroanilino)-9-ethyl-purine-2-carbonitrile CAS Name: 6-(4-chloroanilino)-9-ethyl-2-purinecarbonitrile IUPAC Name: 6-(4-chloroanilino)-9-ethylpurine-2-carbonitrile Traditional Name: 6-(4-chloroanilino)-9-ethyl-purine-2-carbonitrile Formula: C14H11ClN6 MolecularWeight: 298.73034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11ClN6/c1-2-21-8-17-12-13(19-11(7-16)20-14(12)21)18-10-5-3-9(15)4-6-10/h3-6,8H,2H2,1H3,(H,18,19,20)