2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanyl-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanyl-N-(3-nitrophenyl)ethanamide Openeye Name: 2-(6-morpholinopyrimidin-4-yl)sulfanyl-N-(3-nitrophenyl)acetamide CAS Name: 2-[[6-(4-morpholinyl)-4-pyrimidinyl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-(6-morpholin-4-ylpyrimidin-4-yl)sulfanyl-N-(3-nitrophenyl)acetamide Traditional Name: 2-[(6-morpholinopyrimidin-4-yl)thio]-N-(3-nitrophenyl)acetamide Formula: C16H17N5O4S MolecularWeight: 375.40228

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=NC=N2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=CC(=NC=N2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O4S/c22-15(19-12-2-1-3-13(8-12)21(23)24)10-26-16-9-14(17-11-18-16)20-4-6-25-7-5-20/h1-3,8-9,11H,4-7,10H2,(H,19,22)