[3-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]pyrrolidin-1-yl]carbothioylphosphonic acid

Systemtic Name: [3-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]pyrrolidin-1-yl]carbothioylphosphonic acid Openeye Name: [3-(5-methyl-2,4-dioxo-pyrimidin-1-yl)pyrrolidine-1-carbothioyl]phosphonic acid CAS Name: [[3-(5-methyl-2,4-dioxo-1-pyrimidinyl)-1-pyrrolidinyl]-sulfanylidenemethyl]phosphonic acid IUPAC Name: [3-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carbothioyl]phosphonic acid Traditional Name: [3-(2,4-diketo-5-methyl-pyrimidin-1-yl)pyrrolidine-1-carbothioyl]phosphonic acid Formula: C10H14N3O5PS MolecularWeight: 319.274021

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CCN(C2)C(=S)P(=O)(O)O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)C2CCN(C2)C(=S)P(=O)(O)O

InChI

InChI=1S/C10H14N3O5PS/c1-6-4-13(9(15)11-8(6)14)7-2-3-12(5-7)10(20)19(16,17)18/h4,7H,2-3,5H2,1H3,(H,11,14,15)(H2,16,17,18)