2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-7-(trifluoromethyl)-1H-quinazolin-4-one

Systemtic Name: 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-7-(trifluoromethyl)-1H-quinazolin-4-one Openeye Name: 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-7-(trifluoromethyl)-1H-quinazolin-4-one CAS Name: 2-[[(6-ethyl-4-thieno[2,3-d]pyrimidinyl)thio]methyl]-7-(trifluoromethyl)-1H-quinazolin-4-one IUPAC Name: 2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-7-(trifluoromethyl)-1H-quinazolin-4-one Traditional Name: 2-[[(6-ethylthieno[2,3-d]pyrimidin-4-yl)thio]methyl]-7-(trifluoromethyl)-1H-quinazolin-4-one Formula: C18H13F3N4OS2 MolecularWeight: 422.44723

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN=C2SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(F)(F)F

Isomeric SMILES

CCC1=CC2=C(S1)N=CN=C2SCC3=NC(=O)C4=C(N3)C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C18H13F3N4OS2/c1-2-10-6-12-16(22-8-23-17(12)28-10)27-7-14-24-13-5-9(18(19,20)21)3-4-11(13)15(26)25-14/h3-6,8H,2,7H2,1H3,(H,24,25,26)