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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-pyrrolidin-1-yl-pyrrole-2,5-dione Openeye Name: 1-[(4-chlorophenyl)methyl]-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-pyrrolidin-1-yl-pyrrole-2,5-dione CAS Name: 1-[(4-chlorophenyl)methyl]-3-[(4,6-dimethyl-2-pyrimidinyl)thio]-4-(1-pyrrolidinyl)pyrrole-2,5-dione IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-pyrrolidin-1-ylpyrrole-2,5-dione Traditional Name: 1-(4-chlorobenzyl)-3-[(4,6-dimethylpyrimidin-2-yl)thio]-4-pyrrolidino-3-pyrroline-2,5-quinone Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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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)N4CCCC4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)N4CCCC4)C

InChI

InChI=1S/C21H21ClN4O2S/c1-13-11-14(2)24-21(23-13)29-18-17(25-9-3-4-10-25)19(27)26(20(18)28)12-15-5-7-16(22)8-6-15/h5-8,11H,3-4,9-10,12H2,1-2H3