3-[2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanylethanoylamino]-N,N-diethyl-benzamide

Systemtic Name: 3-[2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanylethanoylamino]-N,N-diethyl-benzamide Openeye Name: 3-[[2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanylacetyl]amino]-N,N-diethyl-benzamide CAS Name: 3-[[2-[(5-cyano-2,6-dimethyl-4-pyrimidinyl)thio]-1-oxoethyl]amino]-N,N-diethylbenzamide IUPAC Name: 3-[[2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]amino]-N,N-diethylbenzamide Traditional Name: 3-[[2-[(5-cyano-2,6-dimethyl-pyrimidin-4-yl)thio]acetyl]amino]-N,N-diethyl-benzamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=NC(=C2C#N)C)C

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=NC(=C2C#N)C)C

InChI

InChI=1S/C20H23N5O2S/c1-5-25(6-2)20(27)15-8-7-9-16(10-15)24-18(26)12-28-19-17(11-21)13(3)22-14(4)23-19/h7-10H,5-6,12H2,1-4H3,(H,24,26)