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

Systemtic Name: 5-methyl-3-[1-(4-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl)-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 5-methyl-3-[1-methyl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxo-ethyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-3-[1-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1-oxopropan-2-yl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 5-methyl-3-[1-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1-oxopropan-2-yl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-(3-keto-4-methyl-1,4-benzoxazin-6-yl)-1-methyl-ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C20H17N3O6S MolecularWeight: 427.43048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)C(C)C(=O)C3=CC4=C(C=C3)OCC(=O)N4C)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)C(C)C(=O)C3=CC4=C(C=C3)OCC(=O)N4C)C(=O)O

InChI

InChI=1S/C20H17N3O6S/c1-9-15-18(30-17(9)20(27)28)21-8-23(19(15)26)10(2)16(25)11-4-5-13-12(6-11)22(3)14(24)7-29-13/h4-6,8,10H,7H2,1-3H3,(H,27,28)