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

Systemtic Name: 4,4-dimethyl-6-(4-pyrimidin-2-ylsulfonylbutoxy)-1H-3,1-benzoxazin-2-one Openeye Name: 4,4-dimethyl-6-(4-pyrimidin-2-ylsulfonylbutoxy)-1H-3,1-benzoxazin-2-one CAS Name: 4,4-dimethyl-6-[4-(2-pyrimidinylsulfonyl)butoxy]-1H-3,1-benzoxazin-2-one IUPAC Name: 4,4-dimethyl-6-(4-pyrimidin-2-ylsulfonylbutoxy)-1H-3,1-benzoxazin-2-one Traditional Name: 4,4-dimethyl-6-[4-(2-pyrimidylsulfonyl)butoxy]-1H-3,1-benzoxazin-2-one Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)OCCCCS(=O)(=O)C3=NC=CC=N3)NC(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)OCCCCS(=O)(=O)C3=NC=CC=N3)NC(=O)O1)C

InChI

InChI=1S/C18H21N3O5S/c1-18(2)14-12-13(6-7-15(14)21-17(22)26-18)25-10-3-4-11-27(23,24)16-19-8-5-9-20-16/h5-9,12H,3-4,10-11H2,1-2H3,(H,21,22)