[3-(3-methyl-1,4-dihydropyrimidin-3-ium-2-yl)-3-oxidanyl-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-(3-methyl-1,4-dihydropyrimidin-3-ium-2-yl)-3-oxidanyl-1-phosphono-propyl]phosphonic acid Openeye Name: [3-hydroxy-3-(3-methyl-1,4-dihydropyrimidin-3-ium-2-yl)-1-phosphono-propyl]phosphonic acid CAS Name: [3-hydroxy-3-(3-methyl-1,4-dihydropyrimidin-3-ium-2-yl)-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-hydroxy-3-(3-methyl-1,4-dihydropyrimidin-3-ium-2-yl)-1-phosphonopropyl]phosphonic acid Traditional Name: [3-hydroxy-3-(3-methyl-1,4-dihydropyrimidin-3-ium-2-yl)-1-phosphono-propyl]phosphonic acid Formula: C8H17N2O7P2+ MolecularWeight: 315.177302

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=CC1)C(CC(P(=O)(O)O)P(=O)(O)O)O

Isomeric SMILES

C[N+]1=C(NC=CC1)C(CC(P(=O)(O)O)P(=O)(O)O)O

InChI

InChI=1S/C8H16N2O7P2/c1-10-4-2-3-9-8(10)6(11)5-7(18(12,13)14)19(15,16)17/h2-3,6-7,11H,4-5H2,1H3,(H4,12,13,14,15,16,17)/p+1