3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-pyrrole-2,5-dione

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-pyrrole-2,5-dione Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethyl-pyrrole-2,5-dione CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-phenethylpyrrole-2,5-dione IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenethylpyrrole-2,5-dione Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-[(4,6-dimethylpyrimidin-2-yl)thio]-1-phenethyl-3-pyrroline-2,5-quinone Formula: C27H26N4O2S MolecularWeight: 470.58594

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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)N4CCC5=CC=CC=C5C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)N4CCC5=CC=CC=C5C4)C

InChI

InChI=1S/C27H26N4O2S/c1-18-16-19(2)29-27(28-18)34-24-23(30-14-13-21-10-6-7-11-22(21)17-30)25(32)31(26(24)33)15-12-20-8-4-3-5-9-20/h3-11,16H,12-15,17H2,1-2H3