2-(5-cyano-2-cyclopropyl-6-methyl-pyrimidin-4-yl)sulfanyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ethanamide

Systemtic Name: 2-(5-cyano-2-cyclopropyl-6-methyl-pyrimidin-4-yl)sulfanyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ethanamide Openeye Name: 2-(5-cyano-2-cyclopropyl-6-methyl-pyrimidin-4-yl)sulfanyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide CAS Name: 2-[(5-cyano-2-cyclopropyl-6-methyl-4-pyrimidinyl)thio]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide IUPAC Name: 2-(5-cyano-2-cyclopropyl-6-methylpyrimidin-4-yl)sulfanyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide Traditional Name: 2-[(5-cyano-2-cyclopropyl-6-methyl-pyrimidin-4-yl)thio]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NC(C)C3=CC4=C(C=C3)OCCO4)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C2CC2)SCC(=O)NC(C)C3=CC4=C(C=C3)OCCO4)C#N

InChI

InChI=1S/C21H22N4O3S/c1-12(15-5-6-17-18(9-15)28-8-7-27-17)23-19(26)11-29-21-16(10-22)13(2)24-20(25-21)14-3-4-14/h5-6,9,12,14H,3-4,7-8,11H2,1-2H3,(H,23,26)