5-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-(3-oxidanylidene-4H-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-4H-1,4-benzoxazin-6-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 5-methyl-4-oxo-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 5-methyl-4-oxo-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C18H12N3O6S- MolecularWeight: 398.36938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)C3=CC4=C(C=C3)OCC(=O)N4)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)C3=CC4=C(C=C3)OCC(=O)N4)C(=O)[O-]

InChI

InChI=1S/C18H13N3O6S/c1-8-14-16(28-15(8)18(25)26)19-7-21(17(14)24)5-11(22)9-2-3-12-10(4-9)20-13(23)6-27-12/h2-4,7H,5-6H2,1H3,(H,20,23)(H,25,26)/p-1