2-(5-cyano-2-ethyl-6-methyl-pyrimidin-4-yl)sulfanyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanamide

Systemtic Name: 2-(5-cyano-2-ethyl-6-methyl-pyrimidin-4-yl)sulfanyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanamide Openeye Name: 2-(5-cyano-2-ethyl-6-methyl-pyrimidin-4-yl)sulfanyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide CAS Name: 2-[(5-cyano-2-ethyl-6-methyl-4-pyrimidinyl)thio]-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide IUPAC Name: 2-(5-cyano-2-ethyl-6-methylpyrimidin-4-yl)sulfanyl-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide Traditional Name: 2-[(5-cyano-2-ethyl-6-methyl-pyrimidin-4-yl)thio]-N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetamide Formula: C19H19N5O5S MolecularWeight: 429.44966

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCC(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCCO3)C#N)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCC(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCCO3)C#N)C

InChI

InChI=1S/C19H19N5O5S/c1-3-17-21-11(2)12(9-20)19(23-17)30-10-18(25)22-13-7-15-16(8-14(13)24(26)27)29-6-4-5-28-15/h7-8H,3-6,10H2,1-2H3,(H,22,25)