[(Z)-3-(6-aminopurin-9-yl)prop-2-enoxy]methylphosphonic acid

Systemtic Name: [(Z)-3-(6-aminopurin-9-yl)prop-2-enoxy]methylphosphonic acid Openeye Name: [(Z)-3-(6-aminopurin-9-yl)allyloxy]methylphosphonic acid CAS Name: [(Z)-3-(6-aminopurin-9-yl)prop-2-enoxy]methylphosphonic acid IUPAC Name: [(Z)-3-(6-aminopurin-9-yl)prop-2-enoxy]methylphosphonic acid Traditional Name: [(Z)-3-adenin-9-ylallyloxy]methylphosphonic acid Formula: C9H12N5O4P MolecularWeight: 285.196441

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C=CCOCP(=O)(O)O

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2/C=C\COCP(=O)(O)O

InChI

InChI=1S/C9H12N5O4P/c10-8-7-9(12-4-11-8)14(5-13-7)2-1-3-18-6-19(15,16)17/h1-2,4-5H,3,6H2,(H2,10,11,12)(H2,15,16,17)/b2-1-