azanium [4-[[2,6-bis(azanyl)purin-9-yl]methyl]-1,3-dioxolan-2-yl]-oxidanyl-phosphinate

Systemtic Name: azanium [4-[[2,6-bis(azanyl)purin-9-yl]methyl]-1,3-dioxolan-2-yl]-oxidanyl-phosphinate Openeye Name: ammonium [4-[(2,6-diaminopurin-9-yl)methyl]-1,3-dioxolan-2-yl]-hydroxy-phosphinate CAS Name: ammonium [4-[(2,6-diamino-9-purinyl)methyl]-1,3-dioxolan-2-yl]-hydroxyphosphinate IUPAC Name: azanium [4-[(2,6-diaminopurin-9-yl)methyl]-1,3-dioxolan-2-yl]-hydroxyphosphinate Traditional Name: ammonium [4-[(2,6-diaminopurin-9-yl)methyl]-1,3-dioxolan-2-yl]-hydroxy-phosphinate Formula: C9H16N7O5P MolecularWeight: 333.241001

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(O1)P(=O)(O)[O-])CN2C=NC3=C2N=C(N=C3N)N.[NH4+]

Isomeric SMILES

C1C(OC(O1)P(=O)(O)[O-])CN2C=NC3=C2N=C(N=C3N)N.[NH4+]

InChI

InChI=1S/C9H13N6O5P.H3N/c10-6-5-7(14-8(11)13-6)15(3-12-5)1-4-2-19-9(20-4)21(16,17)18;/h3-4,9H,1-2H2,(H2,16,17,18)(H4,10,11,13,14);1H3