2-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]sulfanyl-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]sulfanyl-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]sulfanyl-1-morpholino-ethanone CAS Name: 2-[[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]sulfanyl-1-morpholin-4-ylethanone Traditional Name: 2-[[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]thio]-1-morpholino-ethanone Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSC2=NC=CC(=N2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCCN1C(=O)CSC2=NC=CC(=N2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H17N3O4S/c21-16(20-5-7-22-8-6-20)10-25-17-18-4-3-13(19-17)12-1-2-14-15(9-12)24-11-23-14/h1-4,9H,5-8,10-11H2