2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-[(4-nitrophenyl)amino]ethyl]ethanamide

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-[(4-nitrophenyl)amino]ethyl]ethanamide Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(4-nitroanilino)ethyl]acetamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[2-(4-nitroanilino)ethyl]acetamide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(4-nitroanilino)ethyl]acetamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-[2-(4-nitroanilino)ethyl]acetamide Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H19N5O3S/c1-11-9-12(2)20-16(19-11)25-10-15(22)18-8-7-17-13-3-5-14(6-4-13)21(23)24/h3-6,9,17H,7-8,10H2,1-2H3,(H,18,22)