3-methyl-N-(2-nitrophenyl)-2-[2-oxidanylidene-2-(pyrimidin-2-ylamino)ethyl]sulfanyl-butanamide

Systemtic Name: 3-methyl-N-(2-nitrophenyl)-2-[2-oxidanylidene-2-(pyrimidin-2-ylamino)ethyl]sulfanyl-butanamide Openeye Name: 3-methyl-N-(2-nitrophenyl)-2-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]sulfanyl-butanamide CAS Name: 3-methyl-N-(2-nitrophenyl)-2-[[2-oxo-2-(2-pyrimidinylamino)ethyl]thio]butanamide IUPAC Name: 3-methyl-N-(2-nitrophenyl)-2-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]sulfanylbutanamide Traditional Name: 2-[[2-keto-2-(2-pyrimidylamino)ethyl]thio]-3-methyl-N-(2-nitrophenyl)butyramide Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=CC=C1[N+](=O)[O-])SCC(=O)NC2=NC=CC=N2

Isomeric SMILES

CC(C)C(C(=O)NC1=CC=CC=C1[N+](=O)[O-])SCC(=O)NC2=NC=CC=N2

InChI

InChI=1S/C17H19N5O4S/c1-11(2)15(27-10-14(23)21-17-18-8-5-9-19-17)16(24)20-12-6-3-4-7-13(12)22(25)26/h3-9,11,15H,10H2,1-2H3,(H,20,24)(H,18,19,21,23)