3-[2-chloranyl-6-[(4-methylphenyl)methylamino]purin-9-yl]propan-1-ol

Systemtic Name: 3-[2-chloranyl-6-[(4-methylphenyl)methylamino]purin-9-yl]propan-1-ol Openeye Name: 3-[2-chloro-6-(p-tolylmethylamino)purin-9-yl]propan-1-ol CAS Name: 3-[2-chloro-6-[(4-methylphenyl)methylamino]-9-purinyl]-1-propanol IUPAC Name: 3-[2-chloro-6-[(4-methylphenyl)methylamino]purin-9-yl]propan-1-ol Traditional Name: 3-[2-chloro-6-[(4-methylbenzyl)amino]purin-9-yl]propan-1-ol Formula: C16H18ClN5O MolecularWeight: 331.80002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3CCCO)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3CCCO)Cl

InChI

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