[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C19H18N6O4 MolecularWeight: 394.38402

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C19H18N6O4/c26-15(24-8-10-25(11-9-24)19-20-6-3-7-21-19)12-29-18(28)16-13-4-1-2-5-14(13)17(27)23-22-16/h1-7H,8-12H2,(H,23,27)