[phosphono-(4-pyrimidin-2-ylsulfanylbutylamino)methyl]phosphonic acid

Systemtic Name: [phosphono-(4-pyrimidin-2-ylsulfanylbutylamino)methyl]phosphonic acid Openeye Name: [phosphono-(4-pyrimidin-2-ylsulfanylbutylamino)methyl]phosphonic acid CAS Name: [phosphono-[4-(2-pyrimidinylthio)butylamino]methyl]phosphonic acid IUPAC Name: [phosphono-(4-pyrimidin-2-ylsulfanylbutylamino)methyl]phosphonic acid Traditional Name: [phosphono-[4-(2-pyrimidylthio)butylamino]methyl]phosphonic acid Formula: C9H17N3O6P2S MolecularWeight: 357.260302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCCCCNC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CN=C(N=C1)SCCCCNC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H17N3O6P2S/c13-19(14,15)9(20(16,17)18)12-4-1-2-7-21-8-10-5-3-6-11-8/h3,5-6,9,12H,1-2,4,7H2,(H2,13,14,15)(H2,16,17,18)