[3-[methyl(3-pyrimidin-2-ylpropyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-[methyl(3-pyrimidin-2-ylpropyl)amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [1-hydroxy-3-[methyl(3-pyrimidin-2-ylpropyl)amino]-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-3-[methyl-[3-(2-pyrimidinyl)propyl]amino]-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-hydroxy-3-[methyl(3-pyrimidin-2-ylpropyl)amino]-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-3-[methyl-[3-(2-pyrimidyl)propyl]amino]-1-phosphono-propyl]phosphonic acid Formula: C11H21N3O7P2 MolecularWeight: 369.247862

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=NC=CC=N1)CCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CN(CCCC1=NC=CC=N1)CCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C11H21N3O7P2/c1-14(8-2-4-10-12-6-3-7-13-10)9-5-11(15,22(16,17)18)23(19,20)21/h3,6-7,15H,2,4-5,8-9H2,1H3,(H2,16,17,18)(H2,19,20,21)