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

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-morpholin-4-yl-1-phenethyl-pyrrole-2,5-dione Openeye Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-morpholino-1-phenethyl-pyrrole-2,5-dione CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-4-(4-morpholinyl)-1-phenethylpyrrole-2,5-dione IUPAC Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-morpholin-4-yl-1-phenethylpyrrole-2,5-dione Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)thio]-4-morpholino-1-phenethyl-3-pyrroline-2,5-quinone Formula: C22H24N4O3S MolecularWeight: 424.51596

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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)N4CCOCC4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)N4CCOCC4)C

InChI

InChI=1S/C22H24N4O3S/c1-15-14-16(2)24-22(23-15)30-19-18(25-10-12-29-13-11-25)20(27)26(21(19)28)9-8-17-6-4-3-5-7-17/h3-7,14H,8-13H2,1-2H3