3-[2-chloranyl-6-[(3,4-dichlorophenyl)methylamino]purin-9-yl]propane-1,2-diol

Systemtic Name: 3-[2-chloranyl-6-[(3,4-dichlorophenyl)methylamino]purin-9-yl]propane-1,2-diol Openeye Name: 3-[2-chloro-6-[(3,4-dichlorophenyl)methylamino]purin-9-yl]propane-1,2-diol CAS Name: 3-[2-chloro-6-[(3,4-dichlorophenyl)methylamino]-9-purinyl]propane-1,2-diol IUPAC Name: 3-[2-chloro-6-[(3,4-dichlorophenyl)methylamino]purin-9-yl]propane-1,2-diol Traditional Name: 3-[2-chloro-6-[(3,4-dichlorobenzyl)amino]purin-9-yl]propane-1,2-diol Formula: C15H14Cl3N5O2 MolecularWeight: 402.66296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CNC2=NC(=NC3=C2N=CN3CC(CO)O)Cl)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CNC2=NC(=NC3=C2N=CN3CC(CO)O)Cl)Cl)Cl

InChI

InChI=1S/C15H14Cl3N5O2/c16-10-2-1-8(3-11(10)17)4-19-13-12-14(22-15(18)21-13)23(7-20-12)5-9(25)6-24/h1-3,7,9,24-25H,4-6H2,(H,19,21,22)