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

Systemtic Name: [4-[4-(6-aminopurin-9-yl)butoxy]-3-ethanoyl-phenyl]methylphosphonic acid Openeye Name: [3-acetyl-4-[4-(6-aminopurin-9-yl)butoxy]phenyl]methylphosphonic acid CAS Name: [3-acetyl-4-[4-(6-aminopurin-9-yl)butoxy]phenyl]methylphosphonic acid IUPAC Name: [3-acetyl-4-[4-(6-aminopurin-9-yl)butoxy]phenyl]methylphosphonic acid Traditional Name: [3-acetyl-4-(4-adenin-9-ylbutoxy)benzyl]phosphonic acid Formula: C18H22N5O5P MolecularWeight: 419.371541

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)CP(=O)(O)O)OCCCCN2C=NC3=C2N=CN=C3N

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)CP(=O)(O)O)OCCCCN2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C18H22N5O5P/c1-12(24)14-8-13(9-29(25,26)27)4-5-15(14)28-7-3-2-6-23-11-22-16-17(19)20-10-21-18(16)23/h4-5,8,10-11H,2-3,6-7,9H2,1H3,(H2,19,20,21)(H2,25,26,27)