3-[[2-[butan-2-yl(oxidanyl)amino]-9-ethyl-purin-6-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[2-[butan-2-yl(oxidanyl)amino]-9-ethyl-purin-6-yl]amino]benzenecarbonitrile Openeye Name: 3-[[9-ethyl-2-[hydroxy(sec-butyl)amino]purin-6-yl]amino]benzonitrile CAS Name: 3-[[2-[butan-2-yl(hydroxy)amino]-9-ethyl-6-purinyl]amino]benzonitrile IUPAC Name: 3-[[2-[butan-2-yl(hydroxy)amino]-9-ethylpurin-6-yl]amino]benzonitrile Traditional Name: 3-[[9-ethyl-2-[hydroxy(sec-butyl)amino]purin-6-yl]amino]benzonitrile Formula: C18H21N7O MolecularWeight: 351.40564

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C1=NC2=C(C(=N1)NC3=CC=CC(=C3)C#N)N=CN2CC)O

Isomeric SMILES

CCC(C)N(C1=NC2=C(C(=N1)NC3=CC=CC(=C3)C#N)N=CN2CC)O

InChI

InChI=1S/C18H21N7O/c1-4-12(3)25(26)18-22-16(15-17(23-18)24(5-2)11-20-15)21-14-8-6-7-13(9-14)10-19/h6-9,11-12,26H,4-5H2,1-3H3,(H,21,22,23)