9-cyclopentyl-6-[[2-(3-imidazol-1-ylpropoxy)phenyl]amino]purine-2-carbonitrile

Systemtic Name: 9-cyclopentyl-6-[[2-(3-imidazol-1-ylpropoxy)phenyl]amino]purine-2-carbonitrile Openeye Name: 9-cyclopentyl-6-[2-(3-imidazol-1-ylpropoxy)anilino]purine-2-carbonitrile CAS Name: 9-cyclopentyl-6-[2-[3-(1-imidazolyl)propoxy]anilino]-2-purinecarbonitrile IUPAC Name: 9-cyclopentyl-6-[2-(3-imidazol-1-ylpropoxy)anilino]purine-2-carbonitrile Traditional Name: 9-cyclopentyl-6-[2-(3-imidazol-1-ylpropoxy)anilino]purine-2-carbonitrile Formula: C23H24N8O MolecularWeight: 428.48966

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC=CC=C4OCCCN5C=CN=C5)C#N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC=CC=C4OCCCN5C=CN=C5)C#N

InChI

InChI=1S/C23H24N8O/c24-14-20-28-22(21-23(29-20)31(16-26-21)17-6-1-2-7-17)27-18-8-3-4-9-19(18)32-13-5-11-30-12-10-25-15-30/h3-4,8-10,12,15-17H,1-2,5-7,11,13H2,(H,27,28,29)