[3-[(4,6-dimethylpyrimidin-2-yl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid; sodium

Systemtic Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid; sodium Openeye Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxy-1-phosphono-propyl]phosphonic acid; sodium CAS Name: [3-[(4,6-dimethyl-2-pyrimidinyl)amino]-1-hydroxy-1-phosphonopropyl]phosphonic acid; sodium IUPAC Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxy-1-phosphonopropyl]phosphonic acid; sodium Traditional Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxy-1-phosphono-propyl]phosphonic acid; sodium Formula: C9H17N3NaO7P2 MolecularWeight: 364.184472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NCCC(O)(P(=O)(O)O)P(=O)(O)O)C.[Na]

Isomeric SMILES

CC1=CC(=NC(=N1)NCCC(O)(P(=O)(O)O)P(=O)(O)O)C.[Na]

InChI

InChI=1S/C9H17N3O7P2.Na/c1-6-5-7(2)12-8(11-6)10-4-3-9(13,20(14,15)16)21(17,18)19;/h5,13H,3-4H2,1-2H3,(H,10,11,12)(H2,14,15,16)(H2,17,18,19);