1-[(4-chlorophenyl)methyl]-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-morpholin-4-yl-pyrrole-2,5-dione

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-morpholin-4-yl-pyrrole-2,5-dione Openeye Name: 1-[(4-chlorophenyl)methyl]-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-morpholino-pyrrole-2,5-dione CAS Name: 1-[(4-chlorophenyl)methyl]-3-[(4,6-dimethyl-2-pyrimidinyl)thio]-4-(4-morpholinyl)pyrrole-2,5-dione IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-morpholin-4-ylpyrrole-2,5-dione Traditional Name: 1-(4-chlorobenzyl)-3-[(4,6-dimethylpyrimidin-2-yl)thio]-4-morpholino-3-pyrroline-2,5-quinone Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)N4CCOCC4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)N4CCOCC4)C

InChI

InChI=1S/C21H21ClN4O3S/c1-13-11-14(2)24-21(23-13)30-18-17(25-7-9-29-10-8-25)19(27)26(20(18)28)12-15-3-5-16(22)6-4-15/h3-6,11H,7-10,12H2,1-2H3