[5-[6-(dimethylamino)-9-phenethyl-purin-8-yl]furan-2-yl]phosphonic acid

Systemtic Name: [5-[6-(dimethylamino)-9-phenethyl-purin-8-yl]furan-2-yl]phosphonic acid Openeye Name: [5-[6-(dimethylamino)-9-phenethyl-purin-8-yl]-2-furyl]phosphonic acid CAS Name: [5-[6-(dimethylamino)-9-phenethyl-8-purinyl]-2-furanyl]phosphonic acid IUPAC Name: [5-[6-(dimethylamino)-9-phenethylpurin-8-yl]furan-2-yl]phosphonic acid Traditional Name: [5-[6-(dimethylamino)-9-phenethyl-purin-8-yl]-2-furyl]phosphonic acid Formula: C19H20N5O4P MolecularWeight: 413.366961

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=NC2=C1N=C(N2CCC3=CC=CC=C3)C4=CC=C(O4)P(=O)(O)O

Isomeric SMILES

CN(C)C1=NC=NC2=C1N=C(N2CCC3=CC=CC=C3)C4=CC=C(O4)P(=O)(O)O

InChI

InChI=1S/C19H20N5O4P/c1-23(2)18-16-19(21-12-20-18)24(11-10-13-6-4-3-5-7-13)17(22-16)14-8-9-15(28-14)29(25,26)27/h3-9,12H,10-11H2,1-2H3,(H2,25,26,27)