[1-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-methyl-octa-2,3-dien-4-yl]phosphonic acid

Systemtic Name: [1-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-methyl-octa-2,3-dien-4-yl]phosphonic acid Openeye Name: 1-[3-(2,4-dioxopyrimidin-1-yl)-2-methyl-prop-1-enylidene]pentylphosphonic acid CAS Name: [1-(2,4-dioxo-1-pyrimidinyl)-2-methylocta-2,3-dien-4-yl]phosphonic acid IUPAC Name: [1-(2,4-dioxopyrimidin-1-yl)-2-methylocta-2,3-dien-4-yl]phosphonic acid Traditional Name: [1-butyl-4-(2,4-diketopyrimidin-1-yl)-3-methyl-buta-1,2-dienyl]phosphonic acid Formula: C13H19N2O5P MolecularWeight: 314.274121

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C=C(C)CN1C=CC(=O)NC1=O)P(=O)(O)O

Isomeric SMILES

CCCCC(=C=C(C)CN1C=CC(=O)NC1=O)P(=O)(O)O

InChI

InChI=1S/C13H19N2O5P/c1-3-4-5-11(21(18,19)20)8-10(2)9-15-7-6-12(16)14-13(15)17/h6-7H,3-5,9H2,1-2H3,(H,14,16,17)(H2,18,19,20)