4,4-dimethyl-6-(4-pyrimidin-2-ylsulfanylbutoxy)-1H-3,1-benzoxazin-2-one

Systemtic Name: 4,4-dimethyl-6-(4-pyrimidin-2-ylsulfanylbutoxy)-1H-3,1-benzoxazin-2-one Openeye Name: 4,4-dimethyl-6-(4-pyrimidin-2-ylsulfanylbutoxy)-1H-3,1-benzoxazin-2-one CAS Name: 4,4-dimethyl-6-[4-(2-pyrimidinylthio)butoxy]-1H-3,1-benzoxazin-2-one IUPAC Name: 4,4-dimethyl-6-(4-pyrimidin-2-ylsulfanylbutoxy)-1H-3,1-benzoxazin-2-one Traditional Name: 4,4-dimethyl-6-[4-(2-pyrimidylthio)butoxy]-1H-3,1-benzoxazin-2-one Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)OCCCCSC3=NC=CC=N3)NC(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)OCCCCSC3=NC=CC=N3)NC(=O)O1)C

InChI

InChI=1S/C18H21N3O3S/c1-18(2)14-12-13(6-7-15(14)21-17(22)24-18)23-10-3-4-11-25-16-19-8-5-9-20-16/h5-9,12H,3-4,10-11H2,1-2H3,(H,21,22)