[6-(4-chloranyl-3-nitro-phenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidin-5-yl]-morpholin-4-yl-methanone

Systemtic Name: [6-(4-chloranyl-3-nitro-phenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidin-5-yl]-morpholin-4-yl-methanone Openeye Name: [6-(4-chloro-3-nitro-phenyl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidin-5-yl]-morpholino-methanone CAS Name: [6-(4-chloro-3-nitrophenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidin-5-yl]-(4-morpholinyl)methanone IUPAC Name: [6-(4-chloro-3-nitrophenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidin-5-yl]-morpholin-4-ylmethanone Traditional Name: [6-(4-chloro-3-nitro-phenyl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidin-5-yl]-morpholino-methanone Formula: C22H21ClN4O4S MolecularWeight: 472.94454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)N4CCOCC4

InChI

InChI=1S/C22H21ClN4O4S/c1-14-19(21(28)25-9-11-31-12-10-25)20(15-7-8-17(23)18(13-15)27(29)30)24-22(32)26(14)16-5-3-2-4-6-16/h2-8,13,20H,9-12H2,1H3,(H,24,32)