[(E)-2-methyl-4-[[9-(oxan-2-yl)purin-6-yl]amino]but-2-enyl] dihydrogen phosphate

Systemtic Name: [(E)-2-methyl-4-[[9-(oxan-2-yl)purin-6-yl]amino]but-2-enyl] dihydrogen phosphate Openeye Name: [(E)-2-methyl-4-[(9-tetrahydropyran-2-ylpurin-6-yl)amino]but-2-enyl] dihydrogen phosphate CAS Name: [(E)-2-methyl-4-[[9-(2-oxanyl)-6-purinyl]amino]but-2-enyl] dihydrogen phosphate IUPAC Name: [(E)-2-methyl-4-[[9-(oxan-2-yl)purin-6-yl]amino]but-2-enyl] dihydrogen phosphate Traditional Name: [(E)-2-methyl-4-[(9-tetrahydropyran-2-ylpurin-6-yl)amino]but-2-enyl] dihydrogen phosphate Formula: C15H22N5O5P MolecularWeight: 383.339441

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCNC1=NC=NC2=C1N=CN2C3CCCCO3)COP(=O)(O)O

Isomeric SMILES

C/C(=C\CNC1=NC=NC2=C1N=CN2C3CCCCO3)/COP(=O)(O)O

InChI

InChI=1S/C15H22N5O5P/c1-11(8-25-26(21,22)23)5-6-16-14-13-15(18-9-17-14)20(10-19-13)12-4-2-3-7-24-12/h5,9-10,12H,2-4,6-8H2,1H3,(H,16,17,18)(H2,21,22,23)/b11-5+