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

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phthalazine-1-carboxamide Openeye Name: 4-oxo-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phthalazine-1-carboxamide CAS Name: 4-oxo-3-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]phthalazine-1-carboxamide Formula: C19H19N7O3 MolecularWeight: 393.39926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)N

InChI

InChI=1S/C19H19N7O3/c20-17(28)16-13-4-1-2-5-14(13)18(29)26(23-16)12-15(27)24-8-10-25(11-9-24)19-21-6-3-7-22-19/h1-7H,8-12H2,(H2,20,28)