2-(6-aminopurin-9-yl)ethoxymethyl-(2-oxidanyl-3-phenylmethoxy-propoxy)phosphinic acid

Systemtic Name: 2-(6-aminopurin-9-yl)ethoxymethyl-(2-oxidanyl-3-phenylmethoxy-propoxy)phosphinic acid Openeye Name: 2-(6-aminopurin-9-yl)ethoxymethyl-(3-benzyloxy-2-hydroxy-propoxy)phosphinic acid CAS Name: 2-(6-aminopurin-9-yl)ethoxymethyl-(2-hydroxy-3-phenylmethoxypropoxy)phosphinic acid IUPAC Name: 2-(6-aminopurin-9-yl)ethoxymethyl-(2-hydroxy-3-phenylmethoxypropoxy)phosphinic acid Traditional Name: 2-adenin-9-ylethoxymethyl-(3-benzoxy-2-hydroxy-propoxy)phosphinic acid Formula: C18H24N5O6P MolecularWeight: 437.386821

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(COP(=O)(COCCN2C=NC3=C2N=CN=C3N)O)O

Isomeric SMILES

C1=CC=C(C=C1)COCC(COP(=O)(COCCN2C=NC3=C2N=CN=C3N)O)O

InChI

InChI=1S/C18H24N5O6P/c19-17-16-18(21-11-20-17)23(12-22-16)6-7-27-13-30(25,26)29-10-15(24)9-28-8-14-4-2-1-3-5-14/h1-5,11-12,15,24H,6-10,13H2,(H,25,26)(H2,19,20,21)