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

Systemtic Name: 8-(5-diethoxyphosphorylfuran-2-yl)-9-(2-methylpropyl)-2-methylsulfanyl-purin-6-amine Openeye Name: 8-(5-diethoxyphosphoryl-2-furyl)-9-isobutyl-2-methylsulfanyl-purin-6-amine CAS Name: 8-(5-diethoxyphosphoryl-2-furanyl)-9-(2-methylpropyl)-2-(methylthio)-6-purinamine IUPAC Name: 8-(5-diethoxyphosphorylfuran-2-yl)-9-(2-methylpropyl)-2-methylsulfanylpurin-6-amine Traditional Name: [8-(5-diethoxyphosphoryl-2-furyl)-9-isobutyl-2-(methylthio)purin-6-yl]amine Formula: C18H26N5O4PS MolecularWeight: 439.468901

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N5O4PS/c1-6-25-28(24,26-7-2)13-9-8-12(27-13)16-20-14-15(19)21-18(29-5)22-17(14)23(16)10-11(3)4/h8-9,11H,6-7,10H2,1-5H3,(H2,19,21,22)