4-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-2,6-dimethyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-2,6-dimethyl-pyrimidine-5-carbonitrile Openeye Name: 4-[(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carbonitrile CAS Name: 4-[[(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]thio]-2,6-dimethyl-5-pyrimidinecarbonitrile IUPAC Name: 4-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanyl-2,6-dimethylpyrimidine-5-carbonitrile Traditional Name: 4-[[(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]thio]-2,6-dimethyl-pyrimidine-5-carbonitrile Formula: C16H22N4OS MolecularWeight: 318.43708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SC(C)C(=O)N2CCCCCC2)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C)S[C@@H](C)C(=O)N2CCCCCC2)C#N

InChI

InChI=1S/C16H22N4OS/c1-11-14(10-17)15(19-13(3)18-11)22-12(2)16(21)20-8-6-4-5-7-9-20/h12H,4-9H2,1-3H3/t12-/m0/s1