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

Systemtic Name: 1-(2-cyclohexyliminopyridin-1-yl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one Openeye Name: 1-(2-cyclohexylimino-1-pyridyl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one CAS Name: 1-(2-cyclohexylimino-1-pyridinyl)-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-propanone IUPAC Name: 1-(2-cyclohexyliminopyridin-1-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propan-1-one Traditional Name: 1-(2-cyclohexylimino-1-pyridyl)-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propan-1-one Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2C=CC=CC2=NC3CCCCC3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2C=CC=CC2=NC3CCCCC3

InChI

InChI=1S/C21H28N4OS/c1-15-18(16(2)23-21(22-15)27-3)12-13-20(26)25-14-8-7-11-19(25)24-17-9-5-4-6-10-17/h7-8,11,14,17H,4-6,9-10,12-13H2,1-3H3