2-[5-aminocarbonyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-5-(phosphonooxymethyl)thiolane-3-carboxylic acid

Systemtic Name: 2-[5-aminocarbonyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-5-(phosphonooxymethyl)thiolane-3-carboxylic acid Openeye Name: 2-(5-carbamoyl-2,4-dioxo-pyrimidin-1-yl)-4-hydroxy-5-(phosphonooxymethyl)tetrahydrothiophene-3-carboxylic acid CAS Name: 2-(5-carbamoyl-2,4-dioxo-1-pyrimidinyl)-4-hydroxy-5-(phosphonooxymethyl)-3-thiolanecarboxylic acid IUPAC Name: 2-(5-carbamoyl-2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(phosphonooxymethyl)thiolane-3-carboxylic acid Traditional Name: 2-(5-carbamoyl-2,4-diketo-pyrimidin-1-yl)-4-hydroxy-5-(phosphonooxymethyl)tetrahydrothiophene-3-carboxylic acid Formula: C11H14N3O10PS MolecularWeight: 411.281721

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=O)NC(=O)N1C2C(C(C(S2)COP(=O)(O)O)O)C(=O)O)C(=O)N

Isomeric SMILES

C1=C(C(=O)NC(=O)N1C2C(C(C(S2)COP(=O)(O)O)O)C(=O)O)C(=O)N

InChI

InChI=1S/C11H14N3O10PS/c12-7(16)3-1-14(11(20)13-8(3)17)9-5(10(18)19)6(15)4(26-9)2-24-25(21,22)23/h1,4-6,9,15H,2H2,(H2,12,16)(H,18,19)(H,13,17,20)(H2,21,22,23)