3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-(phenethylamino)-1-(phenylmethyl)pyrrole-2,5-dione

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-(phenethylamino)-1-(phenylmethyl)pyrrole-2,5-dione Openeye Name: 1-benzyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-(phenethylamino)pyrrole-2,5-dione CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-4-(phenethylamino)-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-(phenethylamino)pyrrole-2,5-dione Traditional Name: 1-benzyl-3-[(4,6-dimethylpyrimidin-2-yl)thio]-4-(phenethylamino)-3-pyrroline-2,5-quinone Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)NCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)NCCC4=CC=CC=C4)C

InChI

InChI=1S/C25H24N4O2S/c1-17-15-18(2)28-25(27-17)32-22-21(26-14-13-19-9-5-3-6-10-19)23(30)29(24(22)31)16-20-11-7-4-8-12-20/h3-12,15,26H,13-14,16H2,1-2H3