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

Systemtic Name: [6-(4-chloranyl-3-nitro-phenyl)-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidin-5-yl]-morpholin-4-yl-methanone Openeye Name: [6-(4-chloro-3-nitro-phenyl)-4-methyl-3-(m-tolyl)-2-thioxo-1,6-dihydropyrimidin-5-yl]-morpholino-methanone CAS Name: [6-(4-chloro-3-nitrophenyl)-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidin-5-yl]-(4-morpholinyl)methanone IUPAC Name: [6-(4-chloro-3-nitrophenyl)-4-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidin-5-yl]-morpholin-4-ylmethanone Traditional Name: [6-(4-chloro-3-nitro-phenyl)-4-methyl-3-(m-tolyl)-2-thioxo-1,6-dihydropyrimidin-5-yl]-morpholino-methanone Formula: C23H23ClN4O4S MolecularWeight: 486.97112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C(NC2=S)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)N4CCOCC4)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(C(NC2=S)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)N4CCOCC4)C

InChI

InChI=1S/C23H23ClN4O4S/c1-14-4-3-5-17(12-14)27-15(2)20(22(29)26-8-10-32-11-9-26)21(25-23(27)33)16-6-7-18(24)19(13-16)28(30)31/h3-7,12-13,21H,8-11H2,1-2H3,(H,25,33)