3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propan-1-one

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propan-1-one Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propan-1-one CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1-propanone IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propan-1-one Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propan-1-one Formula: C20H25N3OS MolecularWeight: 355.497

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CCCCC3=CC=CC=C32

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CCCCC3=CC=CC=C32

InChI

InChI=1S/C20H25N3OS/c1-14-17(15(2)22-20(21-14)25-3)11-12-19(24)23-13-7-6-9-16-8-4-5-10-18(16)23/h4-5,8,10H,6-7,9,11-13H2,1-3H3