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

Systemtic Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxy-1-phosphono-propyl]phosphonic acid CAS Name: [3-[(4,6-dimethyl-2-pyrimidinyl)amino]-1-hydroxy-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxy-1-phosphonopropyl]phosphonic acid Traditional Name: [3-[(4,6-dimethylpyrimidin-2-yl)amino]-1-hydroxy-1-phosphono-propyl]phosphonic acid Formula: C9H17N3O7P2 MolecularWeight: 341.194702

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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

Isomeric SMILES

CC1=CC(=NC(=N1)NCCC(O)(P(=O)(O)O)P(=O)(O)O)C

InChI

InChI=1S/C9H17N3O7P2/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)