1-(1,3-benzodioxol-5-yl)-2-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-(2-isopropyl-6-methyl-pyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[(6-methyl-2-propan-2-yl-4-pyrimidinyl)thio]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[(2-isopropyl-6-methyl-pyrimidin-4-yl)thio]ethanone Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)SCC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)SCC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H18N2O3S/c1-10(2)17-18-11(3)6-16(19-17)23-8-13(20)12-4-5-14-15(7-12)22-9-21-14/h4-7,10H,8-9H2,1-3H3