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

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-morpholin-4-yl-1-(phenylmethyl)pyrrole-2,5-dione Openeye Name: 1-benzyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-morpholino-pyrrole-2,5-dione CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-4-(4-morpholinyl)-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-morpholin-4-ylpyrrole-2,5-dione Traditional Name: 1-benzyl-3-[(4,6-dimethylpyrimidin-2-yl)thio]-4-morpholino-3-pyrroline-2,5-quinone Formula: C21H22N4O3S MolecularWeight: 410.48938

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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)N4CCOCC4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)N4CCOCC4)C

InChI

InChI=1S/C21H22N4O3S/c1-14-12-15(2)23-21(22-14)29-18-17(24-8-10-28-11-9-24)19(26)25(20(18)27)13-16-6-4-3-5-7-16/h3-7,12H,8-11,13H2,1-2H3