5-methyl-4-oxidanylidene-3-[1-oxidanylidene-1-(3-oxidanylidene-4-propyl-1,4-benzoxazin-6-yl)propan-2-yl]thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 5-methyl-4-oxidanylidene-3-[1-oxidanylidene-1-(3-oxidanylidene-4-propyl-1,4-benzoxazin-6-yl)propan-2-yl]thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 5-methyl-3-[1-methyl-2-oxo-2-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)ethyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-4-oxo-3-[1-oxo-1-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)propan-2-yl]-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 5-methyl-4-oxo-3-[1-oxo-1-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)propan-2-yl]thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-(3-keto-4-propyl-1,4-benzoxazin-6-yl)-1-methyl-ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C22H21N3O6S MolecularWeight: 455.48364

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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(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O6S/c1-4-7-24-14-8-13(5-6-15(14)31-9-16(24)26)18(27)12(3)25-10-23-20-17(21(25)28)11(2)19(32-20)22(29)30/h5-6,8,10,12H,4,7,9H2,1-3H3,(H,29,30)