(2-ethyl-3-methyl-6-phosphono-5-sulfanyl-4,5-dihydropyrimidin-6-yl)phosphonic acid

Systemtic Name: (2-ethyl-3-methyl-6-phosphono-5-sulfanyl-4,5-dihydropyrimidin-6-yl)phosphonic acid Openeye Name: (2-ethyl-3-methyl-6-phosphono-5-sulfanyl-4,5-dihydropyrimidin-6-yl)phosphonic acid CAS Name: (2-ethyl-5-mercapto-3-methyl-6-phosphono-4,5-dihydropyrimidin-6-yl)phosphonic acid IUPAC Name: (2-ethyl-3-methyl-6-phosphono-5-sulfanyl-4,5-dihydropyrimidin-6-yl)phosphonic acid Traditional Name: (2-ethyl-5-mercapto-3-methyl-6-phosphono-4,5-dihydropyrimidin-6-yl)phosphonic acid Formula: C7H16N2O6P2S MolecularWeight: 318.224262

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(C(CN1C)S)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCC1=NC(C(CN1C)S)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C7H16N2O6P2S/c1-3-6-8-7(16(10,11)12,17(13,14)15)5(18)4-9(6)2/h5,18H,3-4H2,1-2H3,(H2,10,11,12)(H2,13,14,15)