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

Systemtic Name: 2-methyl-4-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 4-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazine-1-carbonyl]-2-methyl-phthalazin-1-one CAS Name: 2-methyl-4-[[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]-oxomethyl]-1-phthalazinone IUPAC Name: 2-methyl-4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 4-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazine-1-carbonyl]-2-methyl-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)C3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C22H26N6O2/c1-14(2)20-23-15(3)13-18(24-20)27-9-11-28(12-10-27)22(30)19-16-7-5-6-8-17(16)21(29)26(4)25-19/h5-8,13-14H,9-12H2,1-4H3