3-[(6-ethoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(6-ethoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[(6-carbethoxy-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C20H16N4O6S MolecularWeight: 440.42924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)C

InChI

InChI=1S/C20H16N4O6S/c1-3-30-20(29)15-9(2)13-16(25)21-12(22-17(13)31-15)8-24-18(26)11-7-5-4-6-10(11)14(23-24)19(27)28/h4-7H,3,8H2,1-2H3,(H,27,28)(H,21,22,25)