5-methyl-3-[1-(2-methyl-3-oxidanylidene-4H-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-(2-methyl-3-oxidanylidene-4H-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-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-oxo-ethyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-3-[1-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-oxopropan-2-yl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 5-methyl-3-[1-(2-methyl-3-oxo-4H-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-2-methyl-4H-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:

CC1C(=O)NC2=C(O1)C=CC(=C2)C(=O)C(C)N3C=NC4=C(C3=O)C(=C(S4)C(=O)O)C

Isomeric SMILES

CC1C(=O)NC2=C(O1)C=CC(=C2)C(=O)C(C)N3C=NC4=C(C3=O)C(=C(S4)C(=O)O)C

InChI

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