3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-propanone IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Formula: C20H25N3OS2 MolecularWeight: 387.562

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CCC3=C(N=C(N=C3C)SC)C

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CCC3=C(N=C(N=C3C)SC)C

InChI

InChI=1S/C20H25N3OS2/c1-13-11-12-23(17-7-5-6-8-18(17)26-13)19(24)10-9-16-14(2)21-20(25-4)22-15(16)3/h5-8,13H,9-12H2,1-4H3