4-azanyl-1-[(E)-4-diphenoxyphosphoryl-2-(hydroxymethyl)but-3-enyl]pyrimidin-2-one

Systemtic Name: 4-azanyl-1-[(E)-4-diphenoxyphosphoryl-2-(hydroxymethyl)but-3-enyl]pyrimidin-2-one Openeye Name: 4-amino-1-[(E)-4-diphenoxyphosphoryl-2-(hydroxymethyl)but-3-enyl]pyrimidin-2-one CAS Name: 4-amino-1-[(E)-4-diphenoxyphosphoryl-2-(hydroxymethyl)but-3-enyl]-2-pyrimidinone IUPAC Name: 4-amino-1-[(E)-4-diphenoxyphosphoryl-2-(hydroxymethyl)but-3-enyl]pyrimidin-2-one Traditional Name: 4-amino-1-[(E)-4-diphenoxyphosphoryl-2-methylol-but-3-enyl]pyrimidin-2-one Formula: C21H22N3O5P MolecularWeight: 427.390241

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OP(=O)(C=CC(CN2C=CC(=NC2=O)N)CO)OC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)OP(=O)(/C=C/C(CN2C=CC(=NC2=O)N)CO)OC3=CC=CC=C3

InChI

InChI=1S/C21H22N3O5P/c22-20-11-13-24(21(26)23-20)15-17(16-25)12-14-30(27,28-18-7-3-1-4-8-18)29-19-9-5-2-6-10-19/h1-14,17,25H,15-16H2,(H2,22,23,26)/b14-12+