3-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]benzenecarbonitrile Openeye Name: 3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]benzonitrile CAS Name: 3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]benzonitrile IUPAC Name: 3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]benzonitrile Traditional Name: 3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]benzonitrile Formula: C20H23N7O MolecularWeight: 377.44292

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=CC(=C3)C#N)NC4CCC(CC4)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=CC(=C3)C#N)NC4CCC(CC4)O

InChI

InChI=1S/C20H23N7O/c1-2-27-12-22-17-18(23-15-5-3-4-13(10-15)11-21)25-20(26-19(17)27)24-14-6-8-16(28)9-7-14/h3-5,10,12,14,16,28H,2,6-9H2,1H3,(H2,23,24,25,26)