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

Systemtic Name: [1-azanyl-2-(3-methyl-1,4-dihydropyrimidin-3-ium-2-yl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-amino-2-(3-methyl-1,4-dihydropyrimidin-3-ium-2-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [1-amino-2-(3-methyl-1,4-dihydropyrimidin-3-ium-2-yl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-amino-2-(3-methyl-1,4-dihydropyrimidin-3-ium-2-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [1-amino-2-(3-methyl-1,4-dihydropyrimidin-3-ium-2-yl)-1-phosphono-ethyl]phosphonic acid Formula: C7H16N3O6P2+ MolecularWeight: 300.165962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H15N3O6P2/c1-10-4-2-3-9-6(10)5-7(8,17(11,12)13)18(14,15)16/h2-3H,4-5,8H2,1H3,(H4,11,12,13,14,15,16)/p+1