N-(2,4-dimethyl-6-nitro-phenyl)-2-[[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(2,4-dimethyl-6-nitro-phenyl)-2-[[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,4-dimethyl-6-nitro-phenyl)acetamide CAS Name: N-(2,4-dimethyl-6-nitrophenyl)-2-[[6-methyl-4-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,4-dimethyl-6-nitrophenyl)acetamide Traditional Name: 2-[(5-benzyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]-N-(2,4-dimethyl-6-nitro-phenyl)acetamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=O)CSC2=NC(=O)C(=C(N2)C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])NC(=O)CSC2=NC(=O)C(=C(N2)C)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H22N4O4S/c1-13-9-14(2)20(18(10-13)26(29)30)24-19(27)12-31-22-23-15(3)17(21(28)25-22)11-16-7-5-4-6-8-16/h4-10H,11-12H2,1-3H3,(H,24,27)(H,23,25,28)