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

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-4-(pyridin-3-ylmethylamino)pyrrole-2,5-dione Openeye Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-4-(3-pyridylmethylamino)pyrrole-2,5-dione CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-phenethyl-4-(3-pyridinylmethylamino)pyrrole-2,5-dione IUPAC Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-4-(pyridin-3-ylmethylamino)pyrrole-2,5-dione Traditional Name: 3-[(4,6-dimethylpyrimidin-2-yl)thio]-1-phenethyl-4-(3-pyridylmethylamino)-3-pyrroline-2,5-quinone Formula: C24H23N5O2S MolecularWeight: 445.53672

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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)NCC4=CN=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)NCC4=CN=CC=C4)C

InChI

InChI=1S/C24H23N5O2S/c1-16-13-17(2)28-24(27-16)32-21-20(26-15-19-9-6-11-25-14-19)22(30)29(23(21)31)12-10-18-7-4-3-5-8-18/h3-9,11,13-14,26H,10,12,15H2,1-2H3