2-[[6-azanyl-9-(naphthalen-2-ylmethyl)purin-8-yl]amino]ethylphosphonic acid

Systemtic Name: 2-[[6-azanyl-9-(naphthalen-2-ylmethyl)purin-8-yl]amino]ethylphosphonic acid Openeye Name: 2-[[6-amino-9-(2-naphthylmethyl)purin-8-yl]amino]ethylphosphonic acid CAS Name: 2-[[6-amino-9-(2-naphthalenylmethyl)-8-purinyl]amino]ethylphosphonic acid IUPAC Name: 2-[[6-amino-9-(naphthalen-2-ylmethyl)purin-8-yl]amino]ethylphosphonic acid Traditional Name: 2-[[6-amino-9-(2-naphthylmethyl)purin-8-yl]amino]ethylphosphonic acid Formula: C18H19N6O3P MolecularWeight: 398.355621

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CN3C4=C(C(=NC=N4)N)N=C3NCCP(=O)(O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CN3C4=C(C(=NC=N4)N)N=C3NCCP(=O)(O)O

InChI

InChI=1S/C18H19N6O3P/c19-16-15-17(22-11-21-16)24(18(23-15)20-7-8-28(25,26)27)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-6,9,11H,7-8,10H2,(H,20,23)(H2,19,21,22)(H2,25,26,27)