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

Systemtic Name: 3-[(4-azanyl-6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-2-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(4-amino-6-ethoxycarbonyl-5-methyl-thieno[2,3-d]pyrimidin-2-yl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(4-amino-6-ethoxycarbonyl-5-methyl-2-thieno[2,3-d]pyrimidinyl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(4-amino-6-ethoxycarbonyl-5-methylthieno[2,3-d]pyrimidin-2-yl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[(4-amino-6-carbethoxy-5-methyl-thieno[2,3-d]pyrimidin-2-yl)methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C20H17N5O5S MolecularWeight: 439.44448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)N)C

InChI

InChI=1S/C20H17N5O5S/c1-3-30-20(29)15-9(2)13-16(21)22-12(23-17(13)31-15)8-25-18(26)11-7-5-4-6-10(11)14(24-25)19(27)28/h4-7H,3,8H2,1-2H3,(H,27,28)(H2,21,22,23)