2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(2,3-dimethyl-6-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(2,3-dimethyl-6-nitro-phenyl)ethanamide Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(2,3-dimethyl-6-nitro-phenyl)acetamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-N-(2,3-dimethyl-6-nitrophenyl)acetamide IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N-(2,3-dimethyl-6-nitrophenyl)acetamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-N-(2,3-dimethyl-6-nitro-phenyl)acetamide Formula: C22H22ClN5O3S MolecularWeight: 471.95978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC(=O)NC2=C(C=CC(=C2C)C)[N+](=O)[O-])N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC(=O)NC2=C(C=CC(=C2C)C)[N+](=O)[O-])N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H22ClN5O3S/c1-4-16-19(14-6-8-15(23)9-7-14)21(24)27-22(25-16)32-11-18(29)26-20-13(3)12(2)5-10-17(20)28(30)31/h5-10H,4,11H2,1-3H3,(H,26,29)(H2,24,25,27)