2-[3-[(4-azanylpyrimidin-5-yl)methyl]-4-methyl-1H-imidazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate

Systemtic Name: 2-[3-[(4-azanylpyrimidin-5-yl)methyl]-4-methyl-1H-imidazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate Openeye Name: 2-[3-[(4-aminopyrimidin-5-yl)methyl]-4-methyl-1H-imidazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate CAS Name: 2-[3-[(4-amino-5-pyrimidinyl)methyl]-4-methyl-1H-imidazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate IUPAC Name: 2-[3-[(4-aminopyrimidin-5-yl)methyl]-4-methyl-1H-imidazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate Traditional Name: 2-[3-[(4-aminopyrimidin-5-yl)methyl]-4-methyl-1H-imidazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate Formula: C11H18N5O7P2+ MolecularWeight: 394.237442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC=[N+]1CC2=CN=CN=C2N)CCOP(=O)(O)OP(=O)(O)O

Isomeric SMILES

CC1=C(NC=[N+]1CC2=CN=CN=C2N)CCOP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C11H17N5O7P2/c1-8-10(2-3-22-25(20,21)23-24(17,18)19)15-7-16(8)5-9-4-13-6-14-11(9)12/h4,6-7H,2-3,5H2,1H3,(H5,12,13,14,17,18,19,20,21)/p+1