6-[2-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)propanoyl]-4-propyl-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)propanoyl]-4-propyl-1,4-benzoxazin-3-one Openeye Name: 6-[2-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)propanoyl]-4-propyl-1,4-benzoxazin-3-one CAS Name: 6-[2-(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-1-oxopropyl]-4-propyl-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]-4-propyl-1,4-benzoxazin-3-one Traditional Name: 6-[2-(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)propanoyl]-4-propyl-1,4-benzoxazin-3-one Formula: C22H23N3O4S MolecularWeight: 425.50072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)COC2=C1C=C(C=C2)C(=O)C(C)N3C=NC4=C(C3=O)C(=C(S4)C)C

Isomeric SMILES

CCCN1C(=O)COC2=C1C=C(C=C2)C(=O)C(C)N3C=NC4=C(C3=O)C(=C(S4)C)C

InChI

InChI=1S/C22H23N3O4S/c1-5-8-24-16-9-15(6-7-17(16)29-10-18(24)26)20(27)13(3)25-11-23-21-19(22(25)28)12(2)14(4)30-21/h6-7,9,11,13H,5,8,10H2,1-4H3