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

Systemtic Name: [1-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-methyl-hepta-2,3-dien-4-yl]phosphonic acid Openeye Name: [4-(2,4-dioxopyrimidin-1-yl)-3-methyl-1-propyl-buta-1,2-dienyl]phosphonic acid CAS Name: [1-(2,4-dioxo-1-pyrimidinyl)-2-methylhepta-2,3-dien-4-yl]phosphonic acid IUPAC Name: [1-(2,4-dioxopyrimidin-1-yl)-2-methylhepta-2,3-dien-4-yl]phosphonic acid Traditional Name: [4-(2,4-diketopyrimidin-1-yl)-3-methyl-1-propyl-buta-1,2-dienyl]phosphonic acid Formula: C12H17N2O5P MolecularWeight: 300.247541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N2O5P/c1-3-4-10(20(17,18)19)7-9(2)8-14-6-5-11(15)13-12(14)16/h5-6H,3-4,8H2,1-2H3,(H,13,15,16)(H2,17,18,19)