2-azanyl-9-[(E)-4-phosphonatobut-3-enyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(E)-4-phosphonatobut-3-enyl]-3H-purin-6-one Openeye Name: 2-amino-9-[(E)-4-phosphonatobut-3-enyl]-3H-purin-6-one CAS Name: 2-amino-9-[(E)-4-phosphonatobut-3-enyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(E)-4-phosphonatobut-3-enyl]-3H-purin-6-one Traditional Name: 2-amino-9-[(E)-4-phosphonatobut-3-enyl]-3H-purin-6-one Formula: C9H10N5O4P-2 MolecularWeight: 283.180561

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCC=CP(=O)([O-])[O-])NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1CC/C=C/P(=O)([O-])[O-])NC(=NC2=O)N

InChI

InChI=1S/C9H12N5O4P/c10-9-12-7-6(8(15)13-9)11-5-14(7)3-1-2-4-19(16,17)18/h2,4-5H,1,3H2,(H2,16,17,18)(H3,10,12,13,15)/p-2/b4-2+