2-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(3-methyl-2-quinoxalinyl)thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(3-methylquinoxalin-2-yl)thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H16N4OS2 MolecularWeight: 416.51864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1SCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1SCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C22H16N4OS2/c1-13-21(24-17-10-6-5-9-16(17)23-13)29-12-18-25-20(27)19-15(11-28-22(19)26-18)14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,25,26,27)