9-[[4-(chloromethyl)phenyl]methyl]-N-dimethylphosphoryl-purin-6-amine

Systemtic Name: 9-[[4-(chloromethyl)phenyl]methyl]-N-dimethylphosphoryl-purin-6-amine Openeye Name: 9-[[4-(chloromethyl)phenyl]methyl]-N-dimethylphosphoryl-purin-6-amine CAS Name: 9-[[4-(chloromethyl)phenyl]methyl]-N-dimethylphosphoryl-6-purinamine IUPAC Name: 9-[[4-(chloromethyl)phenyl]methyl]-N-dimethylphosphorylpurin-6-amine Traditional Name: [9-[4-(chloromethyl)benzyl]purin-6-yl]-dimethylphosphoryl-amine Formula: C15H17ClN5OP MolecularWeight: 349.755141

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Descriptors Computed from Structure

Canonical SMILES:

CP(=O)(C)NC1=NC=NC2=C1N=CN2CC3=CC=C(C=C3)CCl

Isomeric SMILES

CP(=O)(C)NC1=NC=NC2=C1N=CN2CC3=CC=C(C=C3)CCl

InChI

InChI=1S/C15H17ClN5OP/c1-23(2,22)20-14-13-15(18-9-17-14)21(10-19-13)8-12-5-3-11(7-16)4-6-12/h3-6,9-10H,7-8H2,1-2H3,(H,17,18,20,22)