2-(6-aminopurin-9-yl)ethoxymethyl-(phenylmethoxycarbonyloxymethoxy)phosphinic acid

Systemtic Name: 2-(6-aminopurin-9-yl)ethoxymethyl-(phenylmethoxycarbonyloxymethoxy)phosphinic acid Openeye Name: 2-(6-aminopurin-9-yl)ethoxymethyl-(benzyloxycarbonyloxymethoxy)phosphinic acid CAS Name: 2-(6-aminopurin-9-yl)ethoxymethyl-(phenylmethoxycarbonyloxymethoxy)phosphinic acid IUPAC Name: 2-(6-aminopurin-9-yl)ethoxymethyl-(phenylmethoxycarbonyloxymethoxy)phosphinic acid Traditional Name: 2-adenin-9-ylethoxymethyl(carbobenzoxyoxymethoxy)phosphinic acid Formula: C17H20N5O7P MolecularWeight: 437.343761

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)OCOP(=O)(COCCN2C=NC3=C2N=CN=C3N)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)OCOP(=O)(COCCN2C=NC3=C2N=CN=C3N)O

InChI

InChI=1S/C17H20N5O7P/c18-15-14-16(20-9-19-15)22(10-21-14)6-7-26-12-30(24,25)29-11-28-17(23)27-8-13-4-2-1-3-5-13/h1-5,9-10H,6-8,11-12H2,(H,24,25)(H2,18,19,20)