[(E)-2-methyl-4-[[9-(oxan-2-yl)purin-6-yl]amino]but-2-enoxy]-oxidanyl-oxidanylidene-phosphanium

Systemtic Name: [(E)-2-methyl-4-[[9-(oxan-2-yl)purin-6-yl]amino]but-2-enoxy]-oxidanyl-oxidanylidene-phosphanium Openeye Name: hydroxy-[(E)-2-methyl-4-[(9-tetrahydropyran-2-ylpurin-6-yl)amino]but-2-enoxy]-oxo-phosphonium CAS Name: hydroxy-[(E)-2-methyl-4-[[9-(2-oxanyl)-6-purinyl]amino]but-2-enoxy]-oxophosphonium IUPAC Name: hydroxy-[(E)-2-methyl-4-[[9-(oxan-2-yl)purin-6-yl]amino]but-2-enoxy]-oxophosphanium Traditional Name: hydroxy-keto-[(E)-2-methyl-4-[(9-tetrahydropyran-2-ylpurin-6-yl)amino]but-2-enoxy]phosphonium Formula: C15H21N5O4P+ MolecularWeight: 366.332101

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCNC1=NC=NC2=C1N=CN2C3CCCCO3)CO[P+](=O)O

Isomeric SMILES

C/C(=C\CNC1=NC=NC2=C1N=CN2C3CCCCO3)/CO[P+](=O)O

InChI

InChI=1S/C15H20N5O4P/c1-11(8-24-25(21)22)5-6-16-14-13-15(18-9-17-14)20(10-19-13)12-4-2-3-7-23-12/h5,9-10,12H,2-4,6-8H2,1H3,(H-,16,17,18,21,22)/p+1/b11-5+