[2-(5,6-dimethylimidazo[4,5-b]pyrazin-3-yl)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(5,6-dimethylimidazo[4,5-b]pyrazin-3-yl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-(5,6-dimethylimidazo[4,5-b]pyrazin-3-yl)-1-phosphono-ethyl]phosphonic acid CAS Name: [2-(5,6-dimethyl-3-imidazo[4,5-b]pyrazinyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-(5,6-dimethylimidazo[4,5-b]pyrazin-3-yl)-1-phosphonoethyl]phosphonic acid Traditional Name: [2-(5,6-dimethylimidazo[4,5-b]pyrazin-3-yl)-1-phosphono-ethyl]phosphonic acid Formula: C9H14N4O6P2 MolecularWeight: 336.178182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C(=N1)N=CN2CC(P(=O)(O)O)P(=O)(O)O)C

Isomeric SMILES

CC1=C(N=C2C(=N1)N=CN2CC(P(=O)(O)O)P(=O)(O)O)C

InChI

InChI=1S/C9H14N4O6P2/c1-5-6(2)12-9-8(11-5)10-4-13(9)3-7(20(14,15)16)21(17,18)19/h4,7H,3H2,1-2H3,(H2,14,15,16)(H2,17,18,19)