1-[4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-1,4-diazepan-1-yl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-(2-pyrimidylthio)ethanone Formula: C17H23ClN6OS MolecularWeight: 394.92212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCCN(CC2)C(=O)CSC3=NC=CC=N3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCCN(CC2)C(=O)CSC3=NC=CC=N3)Cl)C

InChI

InChI=1S/C17H23ClN6OS/c1-13-14(16(18)22(2)21-13)11-23-7-4-8-24(10-9-23)15(25)12-26-17-19-5-3-6-20-17/h3,5-6H,4,7-12H2,1-2H3