9-[(Z)-4-phosphonatobut-3-enyl]purin-6-amine

Systemtic Name: 9-[(Z)-4-phosphonatobut-3-enyl]purin-6-amine Openeye Name: 9-[(Z)-4-phosphonatobut-3-enyl]purin-6-amine CAS Name: 9-[(Z)-4-phosphonatobut-3-enyl]-6-purinamine IUPAC Name: 9-[(Z)-4-phosphonatobut-3-enyl]purin-6-amine Traditional Name: [9-[(Z)-4-phosphonatobut-3-enyl]purin-6-yl]amine Formula: C9H10N5O3P-2 MolecularWeight: 267.181161

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2CCC=CP(=O)([O-])[O-]

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2CC/C=C\P(=O)([O-])[O-]

InChI

InChI=1S/C9H12N5O3P/c10-8-7-9(12-5-11-8)14(6-13-7)3-1-2-4-18(15,16)17/h2,4-6H,1,3H2,(H2,10,11,12)(H2,15,16,17)/p-2/b4-2-