3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-4-pyrrolidin-1-yl-pyrrole-2,5-dione

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-4-pyrrolidin-1-yl-pyrrole-2,5-dione Openeye Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-4-pyrrolidin-1-yl-pyrrole-2,5-dione CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-phenethyl-4-(1-pyrrolidinyl)pyrrole-2,5-dione IUPAC Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-4-pyrrolidin-1-ylpyrrole-2,5-dione Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)thio]-1-phenethyl-4-pyrrolidino-3-pyrroline-2,5-quinone Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)N4CCCC4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)N4CCCC4)C

InChI

InChI=1S/C22H24N4O2S/c1-15-14-16(2)24-22(23-15)29-19-18(25-11-6-7-12-25)20(27)26(21(19)28)13-10-17-8-4-3-5-9-17/h3-5,8-9,14H,6-7,10-13H2,1-2H3