2-(2-cyclopropyl-5-ethanoyl-6-methyl-pyrimidin-4-yl)sulfanyl-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-(2-cyclopropyl-5-ethanoyl-6-methyl-pyrimidin-4-yl)sulfanyl-N-(3-nitrophenyl)ethanamide Openeye Name: 2-(5-acetyl-2-cyclopropyl-6-methyl-pyrimidin-4-yl)sulfanyl-N-(3-nitrophenyl)acetamide CAS Name: 2-[(5-acetyl-2-cyclopropyl-6-methyl-4-pyrimidinyl)thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-(5-acetyl-2-cyclopropyl-6-methylpyrimidin-4-yl)sulfanyl-N-(3-nitrophenyl)acetamide Traditional Name: 2-[(5-acetyl-2-cyclopropyl-6-methyl-pyrimidin-4-yl)thio]-N-(3-nitrophenyl)acetamide Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C18H18N4O4S/c1-10-16(11(2)23)18(21-17(19-10)12-6-7-12)27-9-15(24)20-13-4-3-5-14(8-13)22(25)26/h3-5,8,12H,6-7,9H2,1-2H3,(H,20,24)