[2-[4-(6-aminopurin-9-yl)butoxy]phenyl]methylphosphonic acid

Systemtic Name: [2-[4-(6-aminopurin-9-yl)butoxy]phenyl]methylphosphonic acid Openeye Name: [2-[4-(6-aminopurin-9-yl)butoxy]phenyl]methylphosphonic acid CAS Name: [2-[4-(6-aminopurin-9-yl)butoxy]phenyl]methylphosphonic acid IUPAC Name: [2-[4-(6-aminopurin-9-yl)butoxy]phenyl]methylphosphonic acid Traditional Name: [2-(4-adenin-9-ylbutoxy)benzyl]phosphonic acid Formula: C16H20N5O4P MolecularWeight: 377.334861

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N5O4P/c17-15-14-16(19-10-18-15)21(11-20-14)7-3-4-8-25-13-6-2-1-5-12(13)9-26(22,23)24/h1-2,5-6,10-11H,3-4,7-9H2,(H2,17,18,19)(H2,22,23,24)