2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-3-(4-nitrophenyl)butan-1-ol

Systemtic Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-3-(4-nitrophenyl)butan-1-ol Openeye Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-3-(4-nitrophenyl)butan-1-ol CAS Name: 2-[(4,6-dimethoxy-2-pyrimidinyl)thio]-3-methyl-3-(4-nitrophenyl)-1-butanol IUPAC Name: 2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-3-methyl-3-(4-nitrophenyl)butan-1-ol Traditional Name: 2-[(4,6-dimethoxypyrimidin-2-yl)thio]-3-methyl-3-(4-nitrophenyl)butan-1-ol Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)[N+](=O)[O-])C(CO)SC2=NC(=CC(=N2)OC)OC

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)[N+](=O)[O-])C(CO)SC2=NC(=CC(=N2)OC)OC

InChI

InChI=1S/C17H21N3O5S/c1-17(2,11-5-7-12(8-6-11)20(22)23)13(10-21)26-16-18-14(24-3)9-15(19-16)25-4/h5-9,13,21H,10H2,1-4H3