1-[6-methyl-4-morpholin-4-yl-1-(4-nitrophenyl)-2-sulfanylidene-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[6-methyl-4-morpholin-4-yl-1-(4-nitrophenyl)-2-sulfanylidene-pyrimidin-5-yl]ethanone Openeye Name: 1-[6-methyl-4-morpholino-1-(4-nitrophenyl)-2-thioxo-pyrimidin-5-yl]ethanone CAS Name: 1-[6-methyl-4-(4-morpholinyl)-1-(4-nitrophenyl)-2-sulfanylidene-5-pyrimidinyl]ethanone IUPAC Name: 1-[6-methyl-4-morpholin-4-yl-1-(4-nitrophenyl)-2-sulfanylidenepyrimidin-5-yl]ethanone Traditional Name: 1-[6-methyl-4-morpholino-1-(4-nitrophenyl)-2-thioxo-pyrimidin-5-yl]ethanone Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=S)N1C2=CC=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=S)N1C2=CC=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=O)C

InChI

InChI=1S/C17H18N4O4S/c1-11-15(12(2)22)16(19-7-9-25-10-8-19)18-17(26)20(11)13-3-5-14(6-4-13)21(23)24/h3-6H,7-10H2,1-2H3