[5-[6-azanyl-9-(naphthalen-2-ylmethyl)purin-8-yl]furan-2-yl]phosphonic acid

Systemtic Name: [5-[6-azanyl-9-(naphthalen-2-ylmethyl)purin-8-yl]furan-2-yl]phosphonic acid Openeye Name: [5-[6-amino-9-(2-naphthylmethyl)purin-8-yl]-2-furyl]phosphonic acid CAS Name: [5-[6-amino-9-(2-naphthalenylmethyl)-8-purinyl]-2-furanyl]phosphonic acid IUPAC Name: [5-[6-amino-9-(naphthalen-2-ylmethyl)purin-8-yl]furan-2-yl]phosphonic acid Traditional Name: [5-[6-amino-9-(2-naphthylmethyl)purin-8-yl]-2-furyl]phosphonic acid Formula: C20H16N5O4P MolecularWeight: 421.345901

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CN3C4=C(C(=NC=N4)N)N=C3C5=CC=C(O5)P(=O)(O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CN3C4=C(C(=NC=N4)N)N=C3C5=CC=C(O5)P(=O)(O)O

InChI

InChI=1S/C20H16N5O4P/c21-18-17-20(23-11-22-18)25(10-12-5-6-13-3-1-2-4-14(13)9-12)19(24-17)15-7-8-16(29-15)30(26,27)28/h1-9,11H,10H2,(H2,21,22,23)(H2,26,27,28)