2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3,3,5-trimethyl-5-phenyl-4H-2-benzazepin-1-one

Systemtic Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3,3,5-trimethyl-5-phenyl-4H-2-benzazepin-1-one Openeye Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3,3,5-trimethyl-5-phenyl-4H-2-benzazepin-1-one CAS Name: 2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-3,3,5-trimethyl-5-phenyl-4H-2-benzazepin-1-one IUPAC Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3,3,5-trimethyl-5-phenyl-4H-2-benzazepin-1-one Traditional Name: 2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-3,3,5-trimethyl-5-phenyl-4H-2-benzazepin-1-one Formula: C26H29N3OS MolecularWeight: 431.59296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCN2C(=O)C3=CC=CC=C3C(CC2(C)C)(C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCN2C(=O)C3=CC=CC=C3C(CC2(C)C)(C)C4=CC=CC=C4)C

InChI

InChI=1S/C26H29N3OS/c1-18-15-19(2)28-24(27-18)31-17-29-23(30)21-13-9-10-14-22(21)26(5,16-25(29,3)4)20-11-7-6-8-12-20/h6-15H,16-17H2,1-5H3