3-[6-(tert-butylamino)-2-methoxy-pyrimidin-4-yl]oxy-1-methyl-3H-pyridazin-1-ium-6-one

Systemtic Name: 3-[6-(tert-butylamino)-2-methoxy-pyrimidin-4-yl]oxy-1-methyl-3H-pyridazin-1-ium-6-one Openeye Name: 3-[6-(tert-butylamino)-2-methoxy-pyrimidin-4-yl]oxy-1-methyl-3H-pyridazin-1-ium-6-one CAS Name: 3-[[6-(tert-butylamino)-2-methoxy-4-pyrimidinyl]oxy]-1-methyl-3H-pyridazin-1-ium-6-one IUPAC Name: 3-[6-(tert-butylamino)-2-methoxypyrimidin-4-yl]oxy-1-methyl-3H-pyridazin-1-ium-6-one Traditional Name: 3-[6-(tert-butylamino)-2-methoxy-pyrimidin-4-yl]oxy-1-methyl-3H-pyridazin-1-ium-6-one Formula: C14H20N5O3+ MolecularWeight: 306.3403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=CC(=NC(=N1)OC)OC2C=CC(=O)[N+](=N2)C

Isomeric SMILES

CC(C)(C)NC1=CC(=NC(=N1)OC)OC2C=CC(=O)[N+](=N2)C

InChI

InChI=1S/C14H20N5O3/c1-14(2,3)17-9-8-11(16-13(15-9)21-5)22-10-6-7-12(20)19(4)18-10/h6-8,10H,1-5H3,(H,15,16,17)/q+1