2-(2-methylpropyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-phthalazin-1-one

Systemtic Name: 2-(2-methylpropyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-phthalazin-1-one Openeye Name: 2-isobutyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phthalazin-1-one CAS Name: 2-(2-methylpropyl)-4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 2-(2-methylpropyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phthalazin-1-one Traditional Name: 2-isobutyl-4-[4-(2-pyrimidyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H24N6O2/c1-15(2)14-27-19(28)17-7-4-3-6-16(17)18(24-27)20(29)25-10-12-26(13-11-25)21-22-8-5-9-23-21/h3-9,15H,10-14H2,1-2H3