3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)prop-1-en-2-yloxymethyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphinic acid

Systemtic Name: 3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)prop-1-en-2-yloxymethyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphinic acid Openeye Name: 1-[(2-amino-6-oxo-3H-purin-9-yl)methyl]vinyloxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid CAS Name: 3-(2-amino-6-oxo-3H-purin-9-yl)prop-1-en-2-yloxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid IUPAC Name: 3-(2-amino-6-oxo-3H-purin-9-yl)prop-1-en-2-yloxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid Traditional Name: 1-[(2-amino-6-keto-3H-purin-9-yl)methyl]vinyloxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid Formula: C9H14N5O11P3 MolecularWeight: 461.155643

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CN1C=NC2=C1NC(=NC2=O)N)OCP(=O)(O)OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

C=C(CN1C=NC2=C1NC(=NC2=O)N)OCP(=O)(O)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C9H14N5O11P3/c1-5(2-14-3-11-6-7(14)12-9(10)13-8(6)15)23-4-26(16,17)24-28(21,22)25-27(18,19)20/h3H,1-2,4H2,(H,16,17)(H,21,22)(H2,18,19,20)(H3,10,12,13,15)