6-[2-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(2-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C23H17N3O3S2 MolecularWeight: 447.52938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SCC(=O)C4=CC5=C(C=C4)OCC(=O)N5

Isomeric SMILES

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=N1)SCC(=O)C4=CC5=C(C=C4)OCC(=O)N5

InChI

InChI=1S/C23H17N3O3S2/c1-13-24-22(16-10-20(31-23(16)25-13)14-5-3-2-4-6-14)30-12-18(27)15-7-8-19-17(9-15)26-21(28)11-29-19/h2-10H,11-12H2,1H3,(H,26,28)