9-[(E)-4-phosphonatobut-3-enyl]purine-2,6-diamine

Systemtic Name: 9-[(E)-4-phosphonatobut-3-enyl]purine-2,6-diamine Openeye Name: 9-[(E)-4-phosphonatobut-3-enyl]purine-2,6-diamine CAS Name: 9-[(E)-4-phosphonatobut-3-enyl]purine-2,6-diamine IUPAC Name: 9-[(E)-4-phosphonatobut-3-enyl]purine-2,6-diamine Traditional Name: [2-amino-9-[(E)-4-phosphonatobut-3-enyl]purin-6-yl]amine Formula: C9H11N6O3P-2 MolecularWeight: 282.195801

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCC=CP(=O)([O-])[O-])N=C(N=C2N)N

Isomeric SMILES

C1=NC2=C(N1CC/C=C/P(=O)([O-])[O-])N=C(N=C2N)N

InChI

InChI=1S/C9H13N6O3P/c10-7-6-8(14-9(11)13-7)15(5-12-6)3-1-2-4-19(16,17)18/h2,4-5H,1,3H2,(H2,16,17,18)(H4,10,11,13,14)/p-2/b4-2+