2-[6-[(3-chlorophenyl)amino]-9-propan-2-yl-purin-2-yl]ethanol

Systemtic Name: 2-[6-[(3-chlorophenyl)amino]-9-propan-2-yl-purin-2-yl]ethanol Openeye Name: 2-[6-(3-chloroanilino)-9-isopropyl-purin-2-yl]ethanol CAS Name: 2-[6-(3-chloroanilino)-9-propan-2-yl-2-purinyl]ethanol IUPAC Name: 2-[6-(3-chloroanilino)-9-propan-2-ylpurin-2-yl]ethanol Traditional Name: 2-[6-(3-chloroanilino)-9-isopropyl-purin-2-yl]ethanol Formula: C16H18ClN5O MolecularWeight: 331.80002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN5O/c1-10(2)22-9-18-14-15(19-12-5-3-4-11(17)8-12)20-13(6-7-23)21-16(14)22/h3-5,8-10,23H,6-7H2,1-2H3,(H,19,20,21)