[4-(6-aminopurin-9-yl)-1-phenyl-butyl]phosphonic acid

Systemtic Name: [4-(6-aminopurin-9-yl)-1-phenyl-butyl]phosphonic acid Openeye Name: [4-(6-aminopurin-9-yl)-1-phenyl-butyl]phosphonic acid CAS Name: [4-(6-aminopurin-9-yl)-1-phenylbutyl]phosphonic acid IUPAC Name: [4-(6-aminopurin-9-yl)-1-phenylbutyl]phosphonic acid Traditional Name: (4-adenin-9-yl-1-phenyl-butyl)phosphonic acid Formula: C15H18N5O3P MolecularWeight: 347.308881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCCN2C=NC3=C2N=CN=C3N)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CCCN2C=NC3=C2N=CN=C3N)P(=O)(O)O

InChI

InChI=1S/C15H18N5O3P/c16-14-13-15(18-9-17-14)20(10-19-13)8-4-7-12(24(21,22)23)11-5-2-1-3-6-11/h1-3,5-6,9-10,12H,4,7-8H2,(H2,16,17,18)(H2,21,22,23)