2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(3R)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]ethanamide

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(3R)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]ethanamide Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(3R)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]acetamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[(3R)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]acetamide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(3R)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]acetamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-[(3R)-2-methyl-3-phenyl-3H-1,5-benzodiazepin-4-yl]acetamide Formula: C24H23N5OS MolecularWeight: 429.53732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=NC3=CC=CC=C3N=C(C2C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=NC3=CC=CC=C3N=C([C@H]2C4=CC=CC=C4)C)C

InChI

InChI=1S/C24H23N5OS/c1-15-13-16(2)26-24(25-15)31-14-21(30)29-23-22(18-9-5-4-6-10-18)17(3)27-19-11-7-8-12-20(19)28-23/h4-13,22H,14H2,1-3H3,(H,28,29,30)/t22-/m0/s1