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

Systemtic Name: [3-[4-(6-aminopurin-9-yl)butoxy]phenyl]methylphosphonic acid Openeye Name: [3-[4-(6-aminopurin-9-yl)butoxy]phenyl]methylphosphonic acid CAS Name: [3-[4-(6-aminopurin-9-yl)butoxy]phenyl]methylphosphonic acid IUPAC Name: [3-[4-(6-aminopurin-9-yl)butoxy]phenyl]methylphosphonic acid Traditional Name: [3-(4-adenin-9-ylbutoxy)benzyl]phosphonic acid Formula: C16H20N5O4P MolecularWeight: 377.334861

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N5O4P/c17-15-14-16(19-10-18-15)21(11-20-14)6-1-2-7-25-13-5-3-4-12(8-13)9-26(22,23)24/h3-5,8,10-11H,1-2,6-7,9H2,(H2,17,18,19)(H2,22,23,24)