2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-methyl-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-methyl-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-N-methyl-N-(4-nitrophenyl)acetamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-N-methyl-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-N-methyl-N-(4-nitrophenyl)acetamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-N-methyl-N-(4-nitrophenyl)acetamide Formula: C21H20ClN5O3S MolecularWeight: 457.9332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN5O3S/c1-3-17-19(13-4-6-14(22)7-5-13)20(23)25-21(24-17)31-12-18(28)26(2)15-8-10-16(11-9-15)27(29)30/h4-11H,3,12H2,1-2H3,(H2,23,24,25)