4-azanyl-1-[(E)-5-diethoxyphosphoryl-1-(oxan-3-yloxy)pent-4-enyl]-1-ethanoyl-pyrimidin-1-ium-2-one

Systemtic Name: 4-azanyl-1-[(E)-5-diethoxyphosphoryl-1-(oxan-3-yloxy)pent-4-enyl]-1-ethanoyl-pyrimidin-1-ium-2-one Openeye Name: 1-acetyl-4-amino-1-[(E)-5-diethoxyphosphoryl-1-tetrahydropyran-3-yloxy-pent-4-enyl]pyrimidin-1-ium-2-one CAS Name: 1-acetyl-4-amino-1-[(E)-5-diethoxyphosphoryl-1-(3-oxanyloxy)pent-4-enyl]-2-pyrimidin-1-iumone IUPAC Name: 1-acetyl-4-amino-1-[(E)-5-diethoxyphosphoryl-1-(oxan-3-yloxy)pent-4-enyl]pyrimidin-1-ium-2-one Traditional Name: 1-acetyl-4-amino-1-[(E)-5-diethoxyphosphoryl-1-tetrahydropyran-3-yloxy-pent-4-enyl]pyrimidin-1-ium-2-one Formula: C20H33N3O7P+ MolecularWeight: 458.465681

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C=CCCC([N+]1(C=CC(=NC1=O)N)C(=O)C)OC2CCCOC2)OCC

Isomeric SMILES

CCOP(=O)(/C=C/CCC([N+]1(C=CC(=NC1=O)N)C(=O)C)OC2CCCOC2)OCC

InChI

InChI=1S/C20H32N3O7P/c1-4-28-31(26,29-5-2)14-7-6-10-19(30-17-9-8-13-27-15-17)23(16(3)24)12-11-18(21)22-20(23)25/h7,11-12,14,17,19H,4-6,8-10,13,15H2,1-3H3,(H-,21,22,25)/p+1/b14-7+