5-bromanyl-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-yl-ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-bromanyl-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-yl-ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-bromo-N-[(2S)-2-(2-furyl)-2-morpholino-ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-bromo-N-[(2S)-2-(2-furanyl)-2-(4-morpholinyl)ethyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-bromo-N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-bromo-N-[(2S)-2-(2-furyl)-2-morpholino-ethyl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C16H19BrN4O3S MolecularWeight: 427.31606

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NCC(C2=CC=CO2)N3CCOCC3)Br

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC[C@@H](C2=CC=CO2)N3CCOCC3)Br

InChI

InChI=1S/C16H19BrN4O3S/c1-25-16-19-9-11(17)14(20-16)15(22)18-10-12(13-3-2-6-24-13)21-4-7-23-8-5-21/h2-3,6,9,12H,4-5,7-8,10H2,1H3,(H,18,22)/t12-/m0/s1