3-[[6-[(3-chlorophenyl)amino]-9-ethyl-purin-2-yl]amino]propanenitrile

Systemtic Name: 3-[[6-[(3-chlorophenyl)amino]-9-ethyl-purin-2-yl]amino]propanenitrile Openeye Name: 3-[[6-(3-chloroanilino)-9-ethyl-purin-2-yl]amino]propanenitrile CAS Name: 3-[[6-(3-chloroanilino)-9-ethyl-2-purinyl]amino]propanenitrile IUPAC Name: 3-[[6-(3-chloroanilino)-9-ethylpurin-2-yl]amino]propanenitrile Traditional Name: 3-[[6-(3-chloroanilino)-9-ethyl-purin-2-yl]amino]propionitrile Formula: C16H16ClN7 MolecularWeight: 341.79814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN7/c1-2-24-10-20-13-14(21-12-6-3-5-11(17)9-12)22-16(23-15(13)24)19-8-4-7-18/h3,5-6,9-10H,2,4,8H2,1H3,(H2,19,21,22,23)