2-[[6-[(3-chloranyl-4-fluoranyl-phenyl)amino]-9-propan-2-yl-purin-2-yl]amino]ethanol

Systemtic Name: 2-[[6-[(3-chloranyl-4-fluoranyl-phenyl)amino]-9-propan-2-yl-purin-2-yl]amino]ethanol Openeye Name: 2-[[6-(3-chloro-4-fluoro-anilino)-9-isopropyl-purin-2-yl]amino]ethanol CAS Name: 2-[[6-(3-chloro-4-fluoroanilino)-9-propan-2-yl-2-purinyl]amino]ethanol IUPAC Name: 2-[[6-(3-chloro-4-fluoroanilino)-9-propan-2-ylpurin-2-yl]amino]ethanol Traditional Name: 2-[[6-(3-chloro-4-fluoro-anilino)-9-isopropyl-purin-2-yl]amino]ethanol Formula: C16H18ClFN6O MolecularWeight: 364.805123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NC3=CC(=C(C=C3)F)Cl)NCCO

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NC3=CC(=C(C=C3)F)Cl)NCCO

InChI

InChI=1S/C16H18ClFN6O/c1-9(2)24-8-20-13-14(21-10-3-4-12(18)11(17)7-10)22-16(19-5-6-25)23-15(13)24/h3-4,7-9,25H,5-6H2,1-2H3,(H2,19,21,22,23)