3-[6-(4-chloranyl-3,5-dimethyl-phenoxy)-2-phenyl-pyrimidin-4-yl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[6-(4-chloranyl-3,5-dimethyl-phenoxy)-2-phenyl-pyrimidin-4-yl]-2H-phthalazine-1,4-dione Openeye Name: 3-[6-(4-chloro-3,5-dimethyl-phenoxy)-2-phenyl-pyrimidin-4-yl]-2H-phthalazine-1,4-dione CAS Name: 3-[6-(4-chloro-3,5-dimethylphenoxy)-2-phenyl-4-pyrimidinyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[6-(4-chloro-3,5-dimethylphenoxy)-2-phenylpyrimidin-4-yl]-2H-phthalazine-1,4-dione Traditional Name: 3-[6-(4-chloro-3,5-dimethyl-phenoxy)-2-phenyl-pyrimidin-4-yl]-2H-phthalazine-1,4-quinone Formula: C26H19ClN4O3 MolecularWeight: 470.90706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=NC(=NC(=C2)N3C(=O)C4=CC=CC=C4C(=O)N3)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=NC(=NC(=C2)N3C(=O)C4=CC=CC=C4C(=O)N3)C5=CC=CC=C5

InChI

InChI=1S/C26H19ClN4O3/c1-15-12-18(13-16(2)23(15)27)34-22-14-21(28-24(29-22)17-8-4-3-5-9-17)31-26(33)20-11-7-6-10-19(20)25(32)30-31/h3-14H,1-2H3,(H,30,32)