[4-[5-(6-aminopurin-9-yl)pentoxy]-3-ethanoyl-phenyl]methylphosphonic acid

Systemtic Name: [4-[5-(6-aminopurin-9-yl)pentoxy]-3-ethanoyl-phenyl]methylphosphonic acid Openeye Name: [3-acetyl-4-[5-(6-aminopurin-9-yl)pentoxy]phenyl]methylphosphonic acid CAS Name: [3-acetyl-4-[5-(6-aminopurin-9-yl)pentoxy]phenyl]methylphosphonic acid IUPAC Name: [3-acetyl-4-[5-(6-aminopurin-9-yl)pentoxy]phenyl]methylphosphonic acid Traditional Name: [3-acetyl-4-(5-adenin-9-ylpentoxy)benzyl]phosphonic acid Formula: C19H24N5O5P MolecularWeight: 433.398121

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)CP(=O)(O)O)OCCCCCN2C=NC3=C2N=CN=C3N

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)CP(=O)(O)O)OCCCCCN2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C19H24N5O5P/c1-13(25)15-9-14(10-30(26,27)28)5-6-16(15)29-8-4-2-3-7-24-12-23-17-18(20)21-11-22-19(17)24/h5-6,9,11-12H,2-4,7-8,10H2,1H3,(H2,20,21,22)(H2,26,27,28)