3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-[(5-methyl-2-oxidanyl-phenyl)amino]-1-(phenylmethyl)pyrrole-2,5-dione

Systemtic Name: 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-[(5-methyl-2-oxidanyl-phenyl)amino]-1-(phenylmethyl)pyrrole-2,5-dione Openeye Name: 1-benzyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-(2-hydroxy-5-methyl-anilino)pyrrole-2,5-dione CAS Name: 3-[(4,6-dimethyl-2-pyrimidinyl)thio]-4-(2-hydroxy-5-methylanilino)-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-(2-hydroxy-5-methylanilino)pyrrole-2,5-dione Traditional Name: 1-benzyl-3-[(4,6-dimethylpyrimidin-2-yl)thio]-4-(2-hydroxy-5-methyl-anilino)-3-pyrroline-2,5-quinone Formula: C24H22N4O3S MolecularWeight: 446.52148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)NC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)SC4=NC(=CC(=N4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)O)NC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)SC4=NC(=CC(=N4)C)C

InChI

InChI=1S/C24H22N4O3S/c1-14-9-10-19(29)18(11-14)27-20-21(32-24-25-15(2)12-16(3)26-24)23(31)28(22(20)30)13-17-7-5-4-6-8-17/h4-12,27,29H,13H2,1-3H3