[4-[2-(6-aminopurin-9-yl)ethoxy]-3-ethanoyl-phenyl]methylphosphonic acid

Systemtic Name: [4-[2-(6-aminopurin-9-yl)ethoxy]-3-ethanoyl-phenyl]methylphosphonic acid Openeye Name: [3-acetyl-4-[2-(6-aminopurin-9-yl)ethoxy]phenyl]methylphosphonic acid CAS Name: [3-acetyl-4-[2-(6-aminopurin-9-yl)ethoxy]phenyl]methylphosphonic acid IUPAC Name: [3-acetyl-4-[2-(6-aminopurin-9-yl)ethoxy]phenyl]methylphosphonic acid Traditional Name: [3-acetyl-4-(2-adenin-9-ylethoxy)benzyl]phosphonic acid Formula: C16H18N5O5P MolecularWeight: 391.318381

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)CP(=O)(O)O)OCCN2C=NC3=C2N=CN=C3N

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)CP(=O)(O)O)OCCN2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C16H18N5O5P/c1-10(22)12-6-11(7-27(23,24)25)2-3-13(12)26-5-4-21-9-20-14-15(17)18-8-19-16(14)21/h2-3,6,8-9H,4-5,7H2,1H3,(H2,17,18,19)(H2,23,24,25)