2-(6-azanylpurin-7-yl)pent-4-enoxymethyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphinic acid

Systemtic Name: 2-(6-azanylpurin-7-yl)pent-4-enoxymethyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphinic acid Openeye Name: 2-(6-aminopurin-7-yl)pent-4-enoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid CAS Name: 2-(6-amino-7-purinyl)pent-4-enoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid IUPAC Name: 2-(6-aminopurin-7-yl)pent-4-enoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid Traditional Name: 2-(6-aminopurin-7-yl)pent-4-enoxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid Formula: C11H18N5O10P3 MolecularWeight: 473.209403

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(COCP(=O)(O)OP(=O)(O)OP(=O)(O)O)N1C=NC2=C1C(=NC=N2)N

Isomeric SMILES

C=CCC(COCP(=O)(O)OP(=O)(O)OP(=O)(O)O)N1C=NC2=C1C(=NC=N2)N

InChI

InChI=1S/C11H18N5O10P3/c1-2-3-8(16-6-15-11-9(16)10(12)13-5-14-11)4-24-7-27(17,18)25-29(22,23)26-28(19,20)21/h2,5-6,8H,1,3-4,7H2,(H,17,18)(H,22,23)(H2,12,13,14)(H2,19,20,21)