9-ethyl-6-[[4-(pyridin-3-ylmethyl)phenyl]amino]purine-2-carbonitrile

Systemtic Name: 9-ethyl-6-[[4-(pyridin-3-ylmethyl)phenyl]amino]purine-2-carbonitrile Openeye Name: 9-ethyl-6-[4-(3-pyridylmethyl)anilino]purine-2-carbonitrile CAS Name: 9-ethyl-6-[4-(3-pyridinylmethyl)anilino]-2-purinecarbonitrile IUPAC Name: 9-ethyl-6-[4-(pyridin-3-ylmethyl)anilino]purine-2-carbonitrile Traditional Name: 9-ethyl-6-[4-(3-pyridylmethyl)anilino]purine-2-carbonitrile Formula: C20H17N7 MolecularWeight: 355.39588

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)CC4=CN=CC=C4)C#N

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)CC4=CN=CC=C4)C#N

InChI

InChI=1S/C20H17N7/c1-2-27-13-23-18-19(25-17(11-21)26-20(18)27)24-16-7-5-14(6-8-16)10-15-4-3-9-22-12-15/h3-9,12-13H,2,10H2,1H3,(H,24,25,26)