3-[(2-chlorophenyl)methylamino]-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-pyrrole-2,5-dione

Systemtic Name: 3-[(2-chlorophenyl)methylamino]-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-pyrrole-2,5-dione Openeye Name: 3-[(2-chlorophenyl)methylamino]-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-pyrrole-2,5-dione CAS Name: 3-[(2-chlorophenyl)methylamino]-4-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-phenethylpyrrole-2,5-dione IUPAC Name: 3-[(2-chlorophenyl)methylamino]-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethylpyrrole-2,5-dione Traditional Name: 3-[(2-chlorobenzyl)amino]-4-[(4,6-dimethylpyrimidin-2-yl)thio]-1-phenethyl-3-pyrroline-2,5-quinone Formula: C25H23ClN4O2S MolecularWeight: 478.99372

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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=CC=CC=C4Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)NCC4=CC=CC=C4Cl)C

InChI

InChI=1S/C25H23ClN4O2S/c1-16-14-17(2)29-25(28-16)33-22-21(27-15-19-10-6-7-11-20(19)26)23(31)30(24(22)32)13-12-18-8-4-3-5-9-18/h3-11,14,27H,12-13,15H2,1-2H3