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

Systemtic Name: [5-[6-(methylamino)-9-phenethyl-purin-8-yl]furan-2-yl]phosphonic acid Openeye Name: [5-[6-(methylamino)-9-phenethyl-purin-8-yl]-2-furyl]phosphonic acid CAS Name: [5-[6-(methylamino)-9-phenethyl-8-purinyl]-2-furanyl]phosphonic acid IUPAC Name: [5-[6-(methylamino)-9-phenethylpurin-8-yl]furan-2-yl]phosphonic acid Traditional Name: [5-[6-(methylamino)-9-phenethyl-purin-8-yl]-2-furyl]phosphonic acid Formula: C18H18N5O4P MolecularWeight: 399.340381

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=NC2=C1N=C(N2CCC3=CC=CC=C3)C4=CC=C(O4)P(=O)(O)O

Isomeric SMILES

CNC1=NC=NC2=C1N=C(N2CCC3=CC=CC=C3)C4=CC=C(O4)P(=O)(O)O

InChI

InChI=1S/C18H18N5O4P/c1-19-16-15-18(21-11-20-16)23(10-9-12-5-3-2-4-6-12)17(22-15)13-7-8-14(27-13)28(24,25)26/h2-8,11H,9-10H2,1H3,(H,19,20,21)(H2,24,25,26)