4-[6-azanyl-2-[(3,4-dichlorophenyl)methylamino]purin-9-yl]butan-1-ol

Systemtic Name: 4-[6-azanyl-2-[(3,4-dichlorophenyl)methylamino]purin-9-yl]butan-1-ol Openeye Name: 4-[6-amino-2-[(3,4-dichlorophenyl)methylamino]purin-9-yl]butan-1-ol CAS Name: 4-[6-amino-2-[(3,4-dichlorophenyl)methylamino]-9-purinyl]-1-butanol IUPAC Name: 4-[6-amino-2-[(3,4-dichlorophenyl)methylamino]purin-9-yl]butan-1-ol Traditional Name: 4-[6-amino-2-[(3,4-dichlorobenzyl)amino]purin-9-yl]butan-1-ol Formula: C16H18Cl2N6O MolecularWeight: 381.25972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CNC2=NC3=C(C(=N2)N)N=CN3CCCCO)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CNC2=NC3=C(C(=N2)N)N=CN3CCCCO)Cl)Cl

InChI

InChI=1S/C16H18Cl2N6O/c17-11-4-3-10(7-12(11)18)8-20-16-22-14(19)13-15(23-16)24(9-21-13)5-1-2-6-25/h3-4,7,9,25H,1-2,5-6,8H2,(H3,19,20,22,23)