2-[2-(4-tert-butyl-2,6-dimethyl-3,5-dinitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-(4-tert-butyl-2,6-dimethyl-3,5-dinitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(4-tert-butyl-2,6-dimethyl-3,5-dinitro-phenyl)-2-oxo-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)-2-oxoethyl]thio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-(4-tert-butyl-2,6-dimethyl-3,5-dinitro-phenyl)-2-keto-ethyl]thio]-6-methyl-1H-pyrimidin-4-one Formula: C19H22N4O6S MolecularWeight: 434.46618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC(=O)C2=C(C(=C(C(=C2C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC(=O)C2=C(C(=C(C(=C2C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C19H22N4O6S/c1-9-7-13(25)21-18(20-9)30-8-12(24)14-10(2)16(22(26)27)15(19(4,5)6)17(11(14)3)23(28)29/h7H,8H2,1-6H3,(H,20,21,25)