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

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(phenylmethyl)-4-pyrrolidin-1-yl-pyrrole-2,5-dione Openeye Name: 1-benzyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-pyrrolidin-1-yl-pyrrole-2,5-dione CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-(phenylmethyl)-4-(1-pyrrolidinyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-pyrrolidin-1-ylpyrrole-2,5-dione Traditional Name: 1-benzyl-3-[(4,6-dimethylpyrimidin-2-yl)thio]-4-pyrrolidino-3-pyrroline-2,5-quinone Formula: C21H22N4O2S MolecularWeight: 394.48998

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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)N4CCCC4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)N4CCCC4)C

InChI

InChI=1S/C21H22N4O2S/c1-14-12-15(2)23-21(22-14)28-18-17(24-10-6-7-11-24)19(26)25(20(18)27)13-16-8-4-3-5-9-16/h3-5,8-9,12H,6-7,10-11,13H2,1-2H3