1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one

Systemtic Name: 1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one Openeye Name: 1-[4-(azepane-1-carbonyl)-1-piperidyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propan-1-one CAS Name: 1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-propanone IUPAC Name: 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propan-1-one Traditional Name: 1-[4-(azepane-1-carbonyl)piperidino]-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propan-1-one Formula: C22H34N4O2S MolecularWeight: 418.59596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)N2CCC(CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C22H34N4O2S/c1-16-19(17(2)24-22(23-16)29-3)8-9-20(27)25-14-10-18(11-15-25)21(28)26-12-6-4-5-7-13-26/h18H,4-15H2,1-3H3