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

Systemtic Name: 6-[2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-[(6-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C22H15N3O3S2 MolecularWeight: 433.5028

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NC=NC4=C3C=C(S4)C5=CC=CC=C5

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NC=NC4=C3C=C(S4)C5=CC=CC=C5

InChI

InChI=1S/C22H15N3O3S2/c26-17(14-6-7-18-16(8-14)25-20(27)10-28-18)11-29-21-15-9-19(13-4-2-1-3-5-13)30-22(15)24-12-23-21/h1-9,12H,10-11H2,(H,25,27)