N-[(4-chloranyl-1-methyl-pyrazol-3-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[(4-chloranyl-1-methyl-pyrazol-3-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[(4-chloro-1-methyl-pyrazol-3-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[(4-chloro-1-methyl-3-pyrazolyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[(4-chloro-1-methyl-pyrazol-3-yl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-pyrimidylthio)acetamide Formula: C20H20ClN5O3S MolecularWeight: 445.9225

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)CN(CC2COC3=CC=CC=C3O2)C(=O)CSC4=NC=CC=N4)Cl

Isomeric SMILES

CN1C=C(C(=N1)CN(CC2COC3=CC=CC=C3O2)C(=O)CSC4=NC=CC=N4)Cl

InChI

InChI=1S/C20H20ClN5O3S/c1-25-10-15(21)16(24-25)11-26(19(27)13-30-20-22-7-4-8-23-20)9-14-12-28-17-5-2-3-6-18(17)29-14/h2-8,10,14H,9,11-13H2,1H3