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

Systemtic Name: 2-[[6-[(3-chlorophenyl)-methyl-amino]-9-propan-2-yl-purin-2-yl]amino]ethanol Openeye Name: 2-[[6-(3-chloro-N-methyl-anilino)-9-isopropyl-purin-2-yl]amino]ethanol CAS Name: 2-[[6-(3-chloro-N-methylanilino)-9-propan-2-yl-2-purinyl]amino]ethanol IUPAC Name: 2-[[6-(3-chloro-N-methylanilino)-9-propan-2-ylpurin-2-yl]amino]ethanol Traditional Name: 2-[[6-(3-chloro-N-methyl-anilino)-9-isopropyl-purin-2-yl]amino]ethanol Formula: C17H21ClN6O MolecularWeight: 360.84124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2N(C)C3=CC(=CC=C3)Cl)NCCO

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2N(C)C3=CC(=CC=C3)Cl)NCCO

InChI

InChI=1S/C17H21ClN6O/c1-11(2)24-10-20-14-15(21-17(19-7-8-25)22-16(14)24)23(3)13-6-4-5-12(18)9-13/h4-6,9-11,25H,7-8H2,1-3H3,(H,19,21,22)