chromen-2-one; [2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] phosphate

Systemtic Name: chromen-2-one; [2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] phosphate Openeye Name: chromen-2-one; [2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] phosphate CAS Name: 1-benzopyran-2-one; [2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl] phosphate IUPAC Name: chromen-2-one; [2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] phosphate Traditional Name: coumarin; [5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl] phosphate Formula: C19H19N2O10P-2 MolecularWeight: 466.335321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=O)([O-])[O-].C1=CC=C2C(=C1)C=CC(=O)O2

Isomeric SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=O)([O-])[O-].C1=CC=C2C(=C1)C=CC(=O)O2

InChI

InChI=1S/C10H15N2O8P.C9H6O2/c1-5-3-12(10(15)11-9(5)14)8-2-6(7(4-13)19-8)20-21(16,17)18;10-9-6-5-7-3-1-2-4-8(7)11-9/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18);1-6H/p-2