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

Systemtic Name: 6-[2-(3-cyclopentyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(3-cyclopentyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(3-cyclopentyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(3-cyclopentyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(3-cyclopentyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C24H25N3O4S2 MolecularWeight: 483.603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SC(C)C(=O)C3=CC4=C(C=C3)OCC(=O)N4)C5CCCC5)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SC(C)C(=O)C3=CC4=C(C=C3)OCC(=O)N4)C5CCCC5)C

InChI

InChI=1S/C24H25N3O4S2/c1-12-13(2)32-22-20(12)23(30)27(16-6-4-5-7-16)24(26-22)33-14(3)21(29)15-8-9-18-17(10-15)25-19(28)11-31-18/h8-10,14,16H,4-7,11H2,1-3H3,(H,25,28)