[4-(2-azanyl-4-methyl-1,3-thiazol-5-yl)-1-oxidanyl-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-(2-azanyl-4-methyl-1,3-thiazol-5-yl)-1-oxidanyl-1-phosphono-butyl]phosphonic acid Openeye Name: [4-(2-amino-4-methyl-thiazol-5-yl)-1-hydroxy-1-phosphono-butyl]phosphonic acid CAS Name: [4-(2-amino-4-methyl-5-thiazolyl)-1-hydroxy-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-hydroxy-1-phosphonobutyl]phosphonic acid Traditional Name: [4-(2-amino-4-methyl-thiazol-5-yl)-1-hydroxy-1-phosphono-butyl]phosphonic acid Formula: C8H16N2O7P2S MolecularWeight: 346.234362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N)CCCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC1=C(SC(=N1)N)CCCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C8H16N2O7P2S/c1-5-6(20-7(9)10-5)3-2-4-8(11,18(12,13)14)19(15,16)17/h11H,2-4H2,1H3,(H2,9,10)(H2,12,13,14)(H2,15,16,17)