1-[(3E)-4-diethoxyphosphorylocta-1,3-dien-3-yl]pyrimidine-2,4-dione

Systemtic Name: 1-[(3E)-4-diethoxyphosphorylocta-1,3-dien-3-yl]pyrimidine-2,4-dione Openeye Name: 1-[(E)-2-diethoxyphosphoryl-1-vinyl-hex-1-enyl]pyrimidine-2,4-dione CAS Name: 1-[(3E)-4-diethoxyphosphorylocta-1,3-dien-3-yl]pyrimidine-2,4-dione IUPAC Name: 1-[(3E)-4-diethoxyphosphorylocta-1,3-dien-3-yl]pyrimidine-2,4-dione Traditional Name: 1-[(E)-2-diethoxyphosphoryl-1-vinyl-hex-1-enyl]pyrimidine-2,4-quinone Formula: C16H25N2O5P MolecularWeight: 356.353861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C(C=C)N1C=CC(=O)NC1=O)P(=O)(OCC)OCC

Isomeric SMILES

CCCC/C(=C(/C=C)\N1C=CC(=O)NC1=O)/P(=O)(OCC)OCC

InChI

InChI=1S/C16H25N2O5P/c1-5-9-10-14(24(21,22-7-3)23-8-4)13(6-2)18-12-11-15(19)17-16(18)20/h6,11-12H,2,5,7-10H2,1,3-4H3,(H,17,19,20)/b14-13+