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

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(phenylmethyl)pyrrole-2,5-dione Openeye Name: 1-benzyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-pyrrole-2,5-dione CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(4,6-dimethylpyrimidin-2-yl)sulfanylpyrrole-2,5-dione Traditional Name: 1-benzyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-[(4,6-dimethylpyrimidin-2-yl)thio]-3-pyrroline-2,5-quinone Formula: C26H24N4O2S MolecularWeight: 456.55936

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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)N4CCC5=CC=CC=C5C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)N4CCC5=CC=CC=C5C4)C

InChI

InChI=1S/C26H24N4O2S/c1-17-14-18(2)28-26(27-17)33-23-22(29-13-12-20-10-6-7-11-21(20)16-29)24(31)30(25(23)32)15-19-8-4-3-5-9-19/h3-11,14H,12-13,15-16H2,1-2H3