5-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-(3-oxidanylidene-4-propyl-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-propyl-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-4-propyl-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-4-propyl-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-propyl-1,4-benzoxazin-6-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(3-keto-4-propyl-1,4-benzoxazin-6-yl)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C21H18N3O6S- MolecularWeight: 440.44912

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)COC2=C1C=C(C=C2)C(=O)CN3C=NC4=C(C3=O)C(=C(S4)C(=O)[O-])C

Isomeric SMILES

CCCN1C(=O)COC2=C1C=C(C=C2)C(=O)CN3C=NC4=C(C3=O)C(=C(S4)C(=O)[O-])C

InChI

InChI=1S/C21H19N3O6S/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/h4-5,7,10H,3,6,8-9H2,1-2H3,(H,28,29)/p-1