2-methylsulfanyl-N-(2-morpholin-4-ylethyl)-5-nitro-6-(2-phenylethynyl)pyrimidin-4-amine

Systemtic Name: 2-methylsulfanyl-N-(2-morpholin-4-ylethyl)-5-nitro-6-(2-phenylethynyl)pyrimidin-4-amine Openeye Name: 2-methylsulfanyl-N-(2-morpholinoethyl)-5-nitro-6-(2-phenylethynyl)pyrimidin-4-amine CAS Name: 2-(methylthio)-N-[2-(4-morpholinyl)ethyl]-5-nitro-6-(2-phenylethynyl)-4-pyrimidinamine IUPAC Name: 2-methylsulfanyl-N-(2-morpholin-4-ylethyl)-5-nitro-6-(2-phenylethynyl)pyrimidin-4-amine Traditional Name: [2-(methylthio)-5-nitro-6-(2-phenylethynyl)pyrimidin-4-yl]-(2-morpholinoethyl)amine Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)NCCN2CCOCC2)[N+](=O)[O-])C#CC3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=C(C(=N1)NCCN2CCOCC2)[N+](=O)[O-])C#CC3=CC=CC=C3

InChI

InChI=1S/C19H21N5O3S/c1-28-19-21-16(8-7-15-5-3-2-4-6-15)17(24(25)26)18(22-19)20-9-10-23-11-13-27-14-12-23/h2-6H,9-14H2,1H3,(H,20,21,22)