4-azanyl-1-[(E)-6-diethoxyphosphoryl-1-(oxan-3-yloxy)hex-5-en-2-yl]-1-ethanoyl-pyrimidin-1-ium-2-one

Systemtic Name: 4-azanyl-1-[(E)-6-diethoxyphosphoryl-1-(oxan-3-yloxy)hex-5-en-2-yl]-1-ethanoyl-pyrimidin-1-ium-2-one Openeye Name: 1-acetyl-4-amino-1-[(E)-5-diethoxyphosphoryl-1-(tetrahydropyran-3-yloxymethyl)pent-4-enyl]pyrimidin-1-ium-2-one CAS Name: 1-acetyl-4-amino-1-[(E)-6-diethoxyphosphoryl-1-(3-oxanyloxy)hex-5-en-2-yl]-2-pyrimidin-1-iumone IUPAC Name: 1-acetyl-4-amino-1-[(E)-6-diethoxyphosphoryl-1-(oxan-3-yloxy)hex-5-en-2-yl]pyrimidin-1-ium-2-one Traditional Name: 1-acetyl-4-amino-1-[(E)-5-diethoxyphosphoryl-1-(tetrahydropyran-3-yloxymethyl)pent-4-enyl]pyrimidin-1-ium-2-one Formula: C21H35N3O7P+ MolecularWeight: 472.492261

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C=CCCC(COC1CCCOC1)[N+]2(C=CC(=NC2=O)N)C(=O)C)OCC

Isomeric SMILES

CCOP(=O)(/C=C/CCC(COC1CCCOC1)[N+]2(C=CC(=NC2=O)N)C(=O)C)OCC

InChI

InChI=1S/C21H34N3O7P/c1-4-30-32(27,31-5-2)14-7-6-9-18(15-29-19-10-8-13-28-16-19)24(17(3)25)12-11-20(22)23-21(24)26/h7,11-12,14,18-19H,4-6,8-10,13,15-16H2,1-3H3,(H-,22,23,26)/p+1/b14-7+