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

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(4-methoxy-2-nitro-phenyl)ethanamide Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-(4-methoxy-2-nitro-phenyl)acetamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-N-(4-methoxy-2-nitrophenyl)acetamide IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N-(4-methoxy-2-nitrophenyl)acetamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-N-(4-methoxy-2-nitro-phenyl)acetamide Formula: C21H20ClN5O4S MolecularWeight: 473.9326

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClN5O4S/c1-3-15-19(12-4-6-13(22)7-5-12)20(23)26-21(25-15)32-11-18(28)24-16-9-8-14(31-2)10-17(16)27(29)30/h4-10H,3,11H2,1-2H3,(H,24,28)(H2,23,25,26)