2-[4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]ethanenitrile

Systemtic Name: 2-[4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]ethanenitrile Openeye Name: 2-[4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]acetonitrile CAS Name: 2-[4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]acetonitrile IUPAC Name: 2-[4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]acetonitrile Traditional Name: 2-[4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]acetonitrile Formula: C20H22N6O MolecularWeight: 362.42828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)CC#N

Isomeric SMILES

C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)CC#N

InChI

InChI=1S/C20H22N6O/c21-11-10-14-6-8-16(9-7-14)24-20-25-18-17(22-13-23-18)19(26-20)27-12-15-4-2-1-3-5-15/h6-9,13,15H,1-5,10,12H2,(H2,22,23,24,25,26)