5-chloranyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C18H20ClN3O3S MolecularWeight: 393.8877

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCO2)NC(=O)C3=NC(=NC=C3Cl)SC

Isomeric SMILES

CC(C)C(C1=CC2=C(C=C1)OCCO2)NC(=O)C3=NC(=NC=C3Cl)SC

InChI

InChI=1S/C18H20ClN3O3S/c1-10(2)15(11-4-5-13-14(8-11)25-7-6-24-13)21-17(23)16-12(19)9-20-18(22-16)26-3/h4-5,8-10,15H,6-7H2,1-3H3,(H,21,23)