N-(2-methyl-4-nitro-phenyl)-2-[2-oxidanylidene-2-(pyrimidin-2-ylamino)ethyl]sulfanyl-ethanamide

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-2-[2-oxidanylidene-2-(pyrimidin-2-ylamino)ethyl]sulfanyl-ethanamide Openeye Name: N-(2-methyl-4-nitro-phenyl)-2-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]sulfanyl-acetamide CAS Name: N-(2-methyl-4-nitrophenyl)-2-[[2-oxo-2-(2-pyrimidinylamino)ethyl]thio]acetamide IUPAC Name: N-(2-methyl-4-nitrophenyl)-2-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]sulfanylacetamide Traditional Name: 2-[[2-keto-2-(2-pyrimidylamino)ethyl]thio]-N-(2-methyl-4-nitro-phenyl)acetamide Formula: C15H15N5O4S MolecularWeight: 361.3757

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSCC(=O)NC2=NC=CC=N2

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSCC(=O)NC2=NC=CC=N2

InChI

InChI=1S/C15H15N5O4S/c1-10-7-11(20(23)24)3-4-12(10)18-13(21)8-25-9-14(22)19-15-16-5-2-6-17-15/h2-7H,8-9H2,1H3,(H,18,21)(H,16,17,19,22)