6-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylbutoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one

Systemtic Name: 6-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylbutoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Openeye Name: 6-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylbutoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one CAS Name: 6-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]butoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one IUPAC Name: 6-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylbutoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Traditional Name: 6-[4-[(4,6-dimethylpyrimidin-2-yl)thio]butoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCCCOC2=CC3=C(C=C2)NC(=O)OC3(C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCCCCOC2=CC3=C(C=C2)NC(=O)OC3(C)C)C

InChI

InChI=1S/C20H25N3O3S/c1-13-11-14(2)22-18(21-13)27-10-6-5-9-25-15-7-8-17-16(12-15)20(3,4)26-19(24)23-17/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,23,24)