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

Systemtic Name: 3-[(4-azanyl-5-ethoxycarbonyl-6-methyl-furo[2,3-d]pyrimidin-2-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(4-amino-5-ethoxycarbonyl-6-methyl-furo[2,3-d]pyrimidin-2-yl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(4-amino-5-ethoxycarbonyl-6-methyl-2-furo[2,3-d]pyrimidinyl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(4-amino-5-ethoxycarbonyl-6-methylfuro[2,3-d]pyrimidin-2-yl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[(4-amino-5-carbethoxy-6-methyl-furo[2,3-d]pyrimidin-2-yl)methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C20H17N5O6 MolecularWeight: 423.37888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)C

InChI

InChI=1S/C20H17N5O6/c1-3-30-20(29)13-9(2)31-17-14(13)16(21)22-12(23-17)8-25-18(26)11-7-5-4-6-10(11)15(24-25)19(27)28/h4-7H,3,8H2,1-2H3,(H,27,28)(H2,21,22,23)