2-azanyl-9-[[(E)-3-diphenoxyphosphorylprop-2-enoxy]methyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[[(E)-3-diphenoxyphosphorylprop-2-enoxy]methyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[(E)-3-diphenoxyphosphorylallyloxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[[(E)-3-diphenoxyphosphorylprop-2-enoxy]methyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[[(E)-3-diphenoxyphosphorylprop-2-enoxy]methyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[(E)-3-diphenoxyphosphorylallyloxy]methyl]-3H-purin-6-one Formula: C21H20N5O5P MolecularWeight: 453.387761

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OP(=O)(C=CCOCN2C=NC3=C2NC(=NC3=O)N)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)OP(=O)(/C=C/COCN2C=NC3=C2NC(=NC3=O)N)OC4=CC=CC=C4

InChI

InChI=1S/C21H20N5O5P/c22-21-24-19-18(20(27)25-21)23-14-26(19)15-29-12-7-13-32(28,30-16-8-3-1-4-9-16)31-17-10-5-2-6-11-17/h1-11,13-14H,12,15H2,(H3,22,24,25,27)/b13-7+