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

Systemtic Name: [3-[methyl-[3-(pyrimidin-2-ylamino)propyl]amino]-1-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [1-hydroxy-3-[methyl-[3-(pyrimidin-2-ylamino)propyl]amino]-1-phosphono-propyl]phosphonic acid CAS Name: [1-hydroxy-3-[methyl-[3-(2-pyrimidinylamino)propyl]amino]-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-hydroxy-3-[methyl-[3-(pyrimidin-2-ylamino)propyl]amino]-1-phosphonopropyl]phosphonic acid Traditional Name: [1-hydroxy-3-[methyl-[3-(2-pyrimidylamino)propyl]amino]-1-phosphono-propyl]phosphonic acid Formula: C11H22N4O7P2 MolecularWeight: 384.262502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H22N4O7P2/c1-15(8-3-7-14-10-12-5-2-6-13-10)9-4-11(16,23(17,18)19)24(20,21)22/h2,5-6,16H,3-4,7-9H2,1H3,(H,12,13,14)(H2,17,18,19)(H2,20,21,22)