3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]propan-1-one Openeye Name: 1-(4-benzyl-1,4-diazepan-1-yl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 1-(4-benzyl-1,4-diazepan-1-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propan-1-one Traditional Name: 1-(4-benzyl-1,4-diazepan-1-yl)-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propan-1-one Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H30N4OS/c1-17-20(18(2)24-22(23-17)28-3)10-11-21(27)26-13-7-12-25(14-15-26)16-19-8-5-4-6-9-19/h4-6,8-9H,7,10-16H2,1-3H3