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

Systemtic Name: 3-[8-(4-methoxyphenyl)-9-(oxan-4-yl)purin-2-yl]benzimidazole-5-carbonitrile Openeye Name: 3-[8-(4-methoxyphenyl)-9-tetrahydropyran-4-yl-purin-2-yl]benzimidazole-5-carbonitrile CAS Name: 3-[8-(4-methoxyphenyl)-9-(4-oxanyl)-2-purinyl]-5-benzimidazolecarbonitrile IUPAC Name: 3-[8-(4-methoxyphenyl)-9-(oxan-4-yl)purin-2-yl]benzimidazole-5-carbonitrile Traditional Name: 3-[8-(4-methoxyphenyl)-9-tetrahydropyran-4-yl-purin-2-yl]benzimidazole-5-carbonitrile Formula: C25H21N7O2 MolecularWeight: 451.47994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CN=C(N=C3N2C4CCOCC4)N5C=NC6=C5C=C(C=C6)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CN=C(N=C3N2C4CCOCC4)N5C=NC6=C5C=C(C=C6)C#N

InChI

InChI=1S/C25H21N7O2/c1-33-19-5-3-17(4-6-19)23-29-21-14-27-25(30-24(21)32(23)18-8-10-34-11-9-18)31-15-28-20-7-2-16(13-26)12-22(20)31/h2-7,12,14-15,18H,8-11H2,1H3