2-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]sulfanyl-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]sulfanyl-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]sulfanyl-N-(3-nitrophenyl)acetamide CAS Name: 2-[[6-(2,6-dimethyl-4-morpholinyl)-4-pyrimidinyl]thio]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]sulfanyl-N-(3-nitrophenyl)acetamide Traditional Name: 2-[[6-(2,6-dimethylmorpholino)pyrimidin-4-yl]thio]-N-(3-nitrophenyl)acetamide Formula: C18H21N5O4S MolecularWeight: 403.45544

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=CC(=NC=N2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CC(O1)C)C2=CC(=NC=N2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O4S/c1-12-8-22(9-13(2)27-12)16-7-18(20-11-19-16)28-10-17(24)21-14-4-3-5-15(6-14)23(25)26/h3-7,11-13H,8-10H2,1-2H3,(H,21,24)