2-[2-[2-azanyl-6-(prop-2-enylamino)purin-9-yl]ethoxy]ethylphosphonic acid

Systemtic Name: 2-[2-[2-azanyl-6-(prop-2-enylamino)purin-9-yl]ethoxy]ethylphosphonic acid Openeye Name: 2-[2-[6-(allylamino)-2-amino-purin-9-yl]ethoxy]ethylphosphonic acid CAS Name: 2-[2-[2-amino-6-(prop-2-enylamino)-9-purinyl]ethoxy]ethylphosphonic acid IUPAC Name: 2-[2-[2-amino-6-(prop-2-enylamino)purin-9-yl]ethoxy]ethylphosphonic acid Traditional Name: 2-[2-[6-(allylamino)-2-amino-purin-9-yl]ethoxy]ethylphosphonic acid Formula: C12H19N6O4P MolecularWeight: 342.290821

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=NC2=C1N=CN2CCOCCP(=O)(O)O)N

Isomeric SMILES

C=CCNC1=NC(=NC2=C1N=CN2CCOCCP(=O)(O)O)N

InChI

InChI=1S/C12H19N6O4P/c1-2-3-14-10-9-11(17-12(13)16-10)18(8-15-9)4-5-22-6-7-23(19,20)21/h2,8H,1,3-7H2,(H2,19,20,21)(H3,13,14,16,17)