azepan-1-yl-[1-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylpiperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]-4-piperidyl]methanone Formula: C18H25ClN4O2S MolecularWeight: 396.9347

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)N2CCC(CC2)C(=O)N3CCCCCC3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)N2CCC(CC2)C(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C18H25ClN4O2S/c1-26-18-20-12-14(19)15(21-18)17(25)23-10-6-13(7-11-23)16(24)22-8-4-2-3-5-9-22/h12-13H,2-11H2,1H3