8-(5-diethoxyphosphorylfuran-2-yl)-N-methyl-9-phenethyl-purin-6-amine

Systemtic Name: 8-(5-diethoxyphosphorylfuran-2-yl)-N-methyl-9-phenethyl-purin-6-amine Openeye Name: 8-(5-diethoxyphosphoryl-2-furyl)-N-methyl-9-phenethyl-purin-6-amine CAS Name: 8-(5-diethoxyphosphoryl-2-furanyl)-N-methyl-9-phenethyl-6-purinamine IUPAC Name: 8-(5-diethoxyphosphorylfuran-2-yl)-N-methyl-9-phenethylpurin-6-amine Traditional Name: [8-(5-diethoxyphosphoryl-2-furyl)-9-phenethyl-purin-6-yl]-methyl-amine Formula: C22H26N5O4P MolecularWeight: 455.446701

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=CC=C(O1)C2=NC3=C(N2CCC4=CC=CC=C4)N=CN=C3NC)OCC

Isomeric SMILES

CCOP(=O)(C1=CC=C(O1)C2=NC3=C(N2CCC4=CC=CC=C4)N=CN=C3NC)OCC

InChI

InChI=1S/C22H26N5O4P/c1-4-29-32(28,30-5-2)18-12-11-17(31-18)21-26-19-20(23-3)24-15-25-22(19)27(21)14-13-16-9-7-6-8-10-16/h6-12,15H,4-5,13-14H2,1-3H3,(H,23,24,25)