Ketcher 07172015322D 1   1.00000     0.00000     0

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M  END
> <ID>
CHEBI:156213

> <NAME>
(4-{[(3,5-dimethylisoxazol-4-yl)methyl]amino}quinazolin-2-yl)methanol

> <DEFINITION>
A quinazoline carrying a hydroxymethyl substituent at C-2 and a [(3,5-dimethyl-1,2-oxazol-4-yl)methyl]amino group at C-4. One of a series of mucosal-associated invariant T (MAIT) cell agonists.

> <STAR>
3

> <SYNONYM>
DB12; DB-12; (4-(((3,5-dimethylisoxazol-4-yl)methyl)amino)quinazolin-2-yl)methanol

> <IUPAC_NAME>
(4-{[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]amino}quinazolin-2-yl)methanol

> <FORMULA>
C15H16N4O2

> <MASS>
284.319

> <MONOISOTOPIC_MASS>
284.12733

> <CHARGE>
0

> <SMILES>
C12=CC=CC=C2N=C(N=C1NCC3=C(ON=C3C)C)CO

> <INCHI>
InChI=1S/C15H16N4O2/c1-9-12(10(2)21-19-9)7-16-15-11-5-3-4-6-13(11)17-14(8-20)18-15/h3-6,20H,7-8H2,1-2H3,(H,16,17,18)

> <INCHIKEY>
FRMINCOCTGQAJC-UHFFFAOYSA-N

> <PUBMED_CITATION>
32341160

$$$$