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

Systemtic Name: 2-methyl-4-[2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]phthalazin-1-one Openeye Name: 4-[2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]-2-oxo-ethyl]-2-methyl-phthalazin-1-one CAS Name: 2-methyl-4-[2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-2-oxoethyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]phthalazin-1-one Traditional Name: 4-[2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]-2-keto-ethyl]-2-methyl-phthalazin-1-one Formula: C23H28N6O2 MolecularWeight: 420.50742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)CC3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)CC3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C23H28N6O2/c1-15(2)22-24-16(3)13-20(25-22)28-9-11-29(12-10-28)21(30)14-19-17-7-5-6-8-18(17)23(31)27(4)26-19/h5-8,13,15H,9-12,14H2,1-4H3