2-[2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]phthalazin-1-one

Systemtic Name: 2-[2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]phthalazin-1-one Openeye Name: 2-[2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]-2-oxo-ethyl]phthalazin-1-one CAS Name: 2-[2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-2-oxoethyl]-1-phthalazinone IUPAC Name: 2-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]phthalazin-1-one Traditional Name: 2-[2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]-2-keto-ethyl]phthalazin-1-one Formula: C22H26N6O2 MolecularWeight: 406.48084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C22H26N6O2/c1-15(2)21-24-16(3)12-19(25-21)26-8-10-27(11-9-26)20(29)14-28-22(30)18-7-5-4-6-17(18)13-23-28/h4-7,12-13,15H,8-11,14H2,1-3H3