2-[6-[azaniumylidene(azanyl)methyl]-2-azanyl-purin-9-yl]ethoxymethyl-oxidanyl-phosphinate

Systemtic Name: 2-[6-[azaniumylidene(azanyl)methyl]-2-azanyl-purin-9-yl]ethoxymethyl-oxidanyl-phosphinate Openeye Name: 2-[2-amino-6-[amino(azaniumylidene)methyl]purin-9-yl]ethoxymethyl-hydroxy-phosphinate CAS Name: 2-[2-amino-6-[amino(iminio)methyl]-9-purinyl]ethoxymethyl-hydroxyphosphinate IUPAC Name: 2-[2-amino-6-[amino(azaniumylidene)methyl]purin-9-yl]ethoxymethyl-hydroxyphosphinate Traditional Name: 2-[2-amino-6-[amino(iminio)methyl]purin-9-yl]ethoxymethyl-hydroxy-phosphinate Formula: C9H14N7O4P MolecularWeight: 315.225721

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N=C(N=C2N1CCOCP(=O)(O)[O-])N)C(=[NH2+])N

Isomeric SMILES

C1=NC2=C(N=C(N=C2N1CCOCP(=O)(O)[O-])N)C(=[NH2+])N

InChI

InChI=1S/C9H14N7O4P/c10-7(11)5-6-8(15-9(12)14-5)16(3-13-6)1-2-20-4-21(17,18)19/h3H,1-2,4H2,(H3,10,11)(H2,12,14,15)(H2,17,18,19)