8-(5-diethoxyphosphorylfuran-2-yl)-9-(2,2-dimethylpropyl)-2-methylsulfanyl-purin-6-amine

Systemtic Name: 8-(5-diethoxyphosphorylfuran-2-yl)-9-(2,2-dimethylpropyl)-2-methylsulfanyl-purin-6-amine Openeye Name: 8-(5-diethoxyphosphoryl-2-furyl)-9-(2,2-dimethylpropyl)-2-methylsulfanyl-purin-6-amine CAS Name: 8-(5-diethoxyphosphoryl-2-furanyl)-9-(2,2-dimethylpropyl)-2-(methylthio)-6-purinamine IUPAC Name: 8-(5-diethoxyphosphorylfuran-2-yl)-9-(2,2-dimethylpropyl)-2-methylsulfanylpurin-6-amine Traditional Name: [8-(5-diethoxyphosphoryl-2-furyl)-2-(methylthio)-9-neopentyl-purin-6-yl]amine Formula: C19H28N5O4PS MolecularWeight: 453.495481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=CC=C(O1)C2=NC3=C(N2CC(C)(C)C)N=C(N=C3N)SC)OCC

Isomeric SMILES

CCOP(=O)(C1=CC=C(O1)C2=NC3=C(N2CC(C)(C)C)N=C(N=C3N)SC)OCC

InChI

InChI=1S/C19H28N5O4PS/c1-7-26-29(25,27-8-2)13-10-9-12(28-13)16-21-14-15(20)22-18(30-6)23-17(14)24(16)11-19(3,4)5/h9-10H,7-8,11H2,1-6H3,(H2,20,22,23)