[4-(acetyloxymethyl)phenoxy]-[2-(6-aminopurin-9-yl)oxyethoxymethyl]phosphinic acid

Systemtic Name: [4-(acetyloxymethyl)phenoxy]-[2-(6-aminopurin-9-yl)oxyethoxymethyl]phosphinic acid Openeye Name: [4-(acetoxymethyl)phenoxy]-[2-(6-aminopurin-9-yl)oxyethoxymethyl]phosphinic acid CAS Name: [4-(acetyloxymethyl)phenoxy]-[2-(6-aminopurin-9-yl)oxyethoxymethyl]phosphinic acid IUPAC Name: [4-(acetyloxymethyl)phenoxy]-[2-(6-aminopurin-9-yl)oxyethoxymethyl]phosphinic acid Traditional Name: [4-(acetoxymethyl)phenoxy]-(2-adenin-9-yloxyethoxymethyl)phosphinic acid Formula: C17H20N5O7P MolecularWeight: 437.343761

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=C(C=C1)OP(=O)(COCCON2C=NC3=C2N=CN=C3N)O

Isomeric SMILES

CC(=O)OCC1=CC=C(C=C1)OP(=O)(COCCON2C=NC3=C2N=CN=C3N)O

InChI

InChI=1S/C17H20N5O7P/c1-12(23)27-8-13-2-4-14(5-3-13)29-30(24,25)11-26-6-7-28-22-10-21-15-16(18)19-9-20-17(15)22/h2-5,9-10H,6-8,11H2,1H3,(H,24,25)(H2,18,19,20)