5-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-(3-oxidanylidene-4-prop-2-enyl-1,4-benzoxazin-6-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 5-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-(3-oxidanylidene-4-prop-2-enyl-1,4-benzoxazin-6-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 3-[2-(4-allyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-[2-oxo-2-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)ethyl]-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 5-methyl-4-oxo-3-[2-oxo-2-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(4-allyl-3-keto-1,4-benzoxazin-6-yl)-2-keto-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C21H16N3O6S- MolecularWeight: 438.43324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)C3=CC4=C(C=C3)OCC(=O)N4CC=C)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)C3=CC4=C(C=C3)OCC(=O)N4CC=C)C(=O)[O-]

InChI

InChI=1S/C21H17N3O6S/c1-3-6-24-13-7-12(4-5-15(13)30-9-16(24)26)14(25)8-23-10-22-19-17(20(23)27)11(2)18(31-19)21(28)29/h3-5,7,10H,1,6,8-9H2,2H3,(H,28,29)/p-1