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[(E)-4-[2,6-bis(azanyl)purin-9-yl]but-1-enyl]phosphonic acid

[(E)-4-[2,6-bis(azanyl)purin-9-yl]but-1-enyl]phosphonic acid

Systemtic Name:[(E)-4-[2,6-bis(azanyl)purin-9-yl]but-1-enyl]phosphonic acid
Openeye Name:[(E)-4-(2,6-diaminopurin-9-yl)but-1-enyl]phosphonic acid
CAS Name:[(E)-4-(2,6-diamino-9-purinyl)but-1-enyl]phosphonic acid
IUPAC Name:[(E)-4-(2,6-diaminopurin-9-yl)but-1-enyl]phosphonic acid
Traditional Name:[(E)-4-(2,6-diaminopurin-9-yl)but-1-enyl]phosphonic acid
Formula: C9H13N6O3P
MolecularWeight: 284.211681
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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)/b4-2+


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