N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[[4-(1-ethyl-3-methyl-4-pyrazolyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[4-(1-ethyl-3-methylpyrazol-4-yl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[[4-(1-ethyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]thio]acetamide Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C2=NC(=NC=C2)SCC(=O)NC(C)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CCN1C=C(C(=N1)C)C2=NC(=NC=C2)SCC(=O)NC(C)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C22H27N5O3S/c1-6-27-12-18(15(3)26-27)19-9-10-23-22(25-19)31-13-21(28)24-14(2)17-11-16(29-4)7-8-20(17)30-5/h7-12,14H,6,13H2,1-5H3,(H,24,28)