3-[8-(ethylamino)-9-(oxan-4-yl)purin-2-yl]benzimidazole-5-carbonitrile

Systemtic Name: 3-[8-(ethylamino)-9-(oxan-4-yl)purin-2-yl]benzimidazole-5-carbonitrile Openeye Name: 3-[8-(ethylamino)-9-tetrahydropyran-4-yl-purin-2-yl]benzimidazole-5-carbonitrile CAS Name: 3-[8-(ethylamino)-9-(4-oxanyl)-2-purinyl]-5-benzimidazolecarbonitrile IUPAC Name: 3-[8-(ethylamino)-9-(oxan-4-yl)purin-2-yl]benzimidazole-5-carbonitrile Traditional Name: 3-[8-(ethylamino)-9-tetrahydropyran-4-yl-purin-2-yl]benzimidazole-5-carbonitrile Formula: C20H20N8O MolecularWeight: 388.4258

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC2=CN=C(N=C2N1C3CCOCC3)N4C=NC5=C4C=C(C=C5)C#N

Isomeric SMILES

CCNC1=NC2=CN=C(N=C2N1C3CCOCC3)N4C=NC5=C4C=C(C=C5)C#N

InChI

InChI=1S/C20H20N8O/c1-2-22-20-25-16-11-23-19(26-18(16)28(20)14-5-7-29-8-6-14)27-12-24-15-4-3-13(10-21)9-17(15)27/h3-4,9,11-12,14H,2,5-8H2,1H3,(H,22,25)