2-[[6-[(3-chlorophenyl)amino]-9-ethyl-purin-2-yl]amino]butan-1-ol

Systemtic Name: 2-[[6-[(3-chlorophenyl)amino]-9-ethyl-purin-2-yl]amino]butan-1-ol Openeye Name: 2-[[6-(3-chloroanilino)-9-ethyl-purin-2-yl]amino]butan-1-ol CAS Name: 2-[[6-(3-chloroanilino)-9-ethyl-2-purinyl]amino]-1-butanol IUPAC Name: 2-[[6-(3-chloroanilino)-9-ethylpurin-2-yl]amino]butan-1-ol Traditional Name: 2-[[6-(3-chloroanilino)-9-ethyl-purin-2-yl]amino]butan-1-ol Formula: C17H21ClN6O MolecularWeight: 360.84124

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC2=C(C(=N1)NC3=CC(=CC=C3)Cl)N=CN2CC

Isomeric SMILES

CCC(CO)NC1=NC2=C(C(=N1)NC3=CC(=CC=C3)Cl)N=CN2CC

InChI

InChI=1S/C17H21ClN6O/c1-3-12(9-25)21-17-22-15(20-13-7-5-6-11(18)8-13)14-16(23-17)24(4-2)10-19-14/h5-8,10,12,25H,3-4,9H2,1-2H3,(H2,20,21,22,23)