2-[1-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-methyl-pyridin-1-ium-3-yl]ethyl phosphate

Systemtic Name: 2-[1-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-methyl-pyridin-1-ium-3-yl]ethyl phosphate Openeye Name: 2-[1-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-methyl-pyridin-1-ium-3-yl]ethyl phosphate CAS Name: 2-[1-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-2-methyl-3-pyridin-1-iumyl]ethyl phosphate IUPAC Name: 2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-methylpyridin-1-ium-3-yl]ethyl phosphate Traditional Name: 2-[1-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-methyl-pyridin-1-ium-3-yl]ethyl phosphate Formula: C14H18N4O4P- MolecularWeight: 337.290881

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)([O-])[O-]

Isomeric SMILES

CC1=C(C=CC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)([O-])[O-]

InChI

InChI=1S/C14H19N4O4P/c1-10-12(5-7-22-23(19,20)21)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15/h3-4,6,8H,5,7,9H2,1-2H3,(H3-,15,16,17,19,20,21)/p-1