6-chloranyl-9-[[4-(diethoxyphosphorylmethoxy)phenyl]methyl]purin-2-amine

Systemtic Name: 6-chloranyl-9-[[4-(diethoxyphosphorylmethoxy)phenyl]methyl]purin-2-amine Openeye Name: 6-chloro-9-[[4-(diethoxyphosphorylmethoxy)phenyl]methyl]purin-2-amine CAS Name: 6-chloro-9-[[4-(diethoxyphosphorylmethoxy)phenyl]methyl]-2-purinamine IUPAC Name: 6-chloro-9-[[4-(diethoxyphosphorylmethoxy)phenyl]methyl]purin-2-amine Traditional Name: [6-chloro-9-[4-(diethoxyphosphorylmethoxy)benzyl]purin-2-yl]amine Formula: C17H21ClN5O4P MolecularWeight: 425.806501

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(COC1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3Cl)N)OCC

Isomeric SMILES

CCOP(=O)(COC1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3Cl)N)OCC

InChI

InChI=1S/C17H21ClN5O4P/c1-3-26-28(24,27-4-2)11-25-13-7-5-12(6-8-13)9-23-10-20-14-15(18)21-17(19)22-16(14)23/h5-8,10H,3-4,9,11H2,1-2H3,(H2,19,21,22)