6-chloranyl-8-[(2-diethoxyphosphorylimidazol-1-yl)methyl]-9-(2,2-dimethylpropyl)purine

Systemtic Name: 6-chloranyl-8-[(2-diethoxyphosphorylimidazol-1-yl)methyl]-9-(2,2-dimethylpropyl)purine Openeye Name: 6-chloro-8-[(2-diethoxyphosphorylimidazol-1-yl)methyl]-9-(2,2-dimethylpropyl)purine CAS Name: 6-chloro-8-[(2-diethoxyphosphoryl-1-imidazolyl)methyl]-9-(2,2-dimethylpropyl)purine IUPAC Name: 6-chloro-8-[(2-diethoxyphosphorylimidazol-1-yl)methyl]-9-(2,2-dimethylpropyl)purine Traditional Name: 6-chloro-8-[(2-diethoxyphosphorylimidazol-1-yl)methyl]-9-neopentyl-purine Formula: C18H26ClN6O3P MolecularWeight: 440.864201

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=NC=CN1CC2=NC3=C(N2CC(C)(C)C)N=CN=C3Cl)OCC

Isomeric SMILES

CCOP(=O)(C1=NC=CN1CC2=NC3=C(N2CC(C)(C)C)N=CN=C3Cl)OCC

InChI

InChI=1S/C18H26ClN6O3P/c1-6-27-29(26,28-7-2)17-20-8-9-24(17)10-13-23-14-15(19)21-12-22-16(14)25(13)11-18(3,4)5/h8-9,12H,6-7,10-11H2,1-5H3