1-[4-(2,6-dimethyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[4-(2,6-dimethyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-(2,6-dimethyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepan-1-yl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[4-(5-isopropyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-(phenylthio)ethanone Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)CSC3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)CSC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C22H30N4OS/c1-16(2)21-17(3)23-18(4)24-22(21)26-12-8-11-25(13-14-26)20(27)15-28-19-9-6-5-7-10-19/h5-7,9-10,16H,8,11-15H2,1-4H3