4-oxidanylidene-3-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]phthalazine-1-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]phthalazine-1-carboxylic acid Openeye Name: 4-oxo-3-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]-1-phthalazinecarboxylic acid IUPAC Name: 4-oxo-3-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]phthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-[4-(2-thenoyl)piperazino]ethyl]phthalazine-1-carboxylic acid Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)C(=O)C4=CC=CS4

InChI

InChI=1S/C20H18N4O5S/c25-16(22-7-9-23(10-8-22)19(27)15-6-3-11-30-15)12-24-18(26)14-5-2-1-4-13(14)17(21-24)20(28)29/h1-6,11H,7-10,12H2,(H,28,29)