[3-[methyl-[3-(pyridin-2-ylamino)propyl]amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-[methyl-[3-(pyridin-2-ylamino)propyl]amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [1-hydroxy-3-[methyl-[3-(2-pyridylamino)propyl]amino]-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-3-[methyl-[3-(2-pyridinylamino)propyl]amino]-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-hydroxy-3-[methyl-[3-(pyridin-2-ylamino)propyl]amino]-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-3-[methyl-[3-(2-pyridylamino)propyl]amino]-1-phosphono-propyl]phosphonic acid Formula: C12H23N3O7P2 MolecularWeight: 383.274442

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC1=CC=CC=N1)CCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CN(CCCNC1=CC=CC=N1)CCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C12H23N3O7P2/c1-15(9-4-8-14-11-5-2-3-7-13-11)10-6-12(16,23(17,18)19)24(20,21)22/h2-3,5,7,16H,4,6,8-10H2,1H3,(H,13,14)(H2,17,18,19)(H2,20,21,22)