3-[6-(3-methyl-5-propan-2-yl-phenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[6-(3-methyl-5-propan-2-yl-phenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-2H-phthalazine-1,4-dione Openeye Name: 3-[6-(3-isopropyl-5-methyl-phenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-2H-phthalazine-1,4-dione CAS Name: 3-[6-(3-methyl-5-propan-2-ylphenoxy)-2-(methylthio)-4-pyrimidinyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[6-(3-methyl-5-propan-2-ylphenoxy)-2-methylsulfanylpyrimidin-4-yl]-2H-phthalazine-1,4-dione Traditional Name: 3-[6-(3-isopropyl-5-methyl-phenoxy)-2-(methylthio)pyrimidin-4-yl]-2H-phthalazine-1,4-quinone Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC(=NC(=C2)N3C(=O)C4=CC=CC=C4C(=O)N3)SC)C(C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC(=NC(=C2)N3C(=O)C4=CC=CC=C4C(=O)N3)SC)C(C)C

InChI

InChI=1S/C23H22N4O3S/c1-13(2)15-9-14(3)10-16(11-15)30-20-12-19(24-23(25-20)31-4)27-22(29)18-8-6-5-7-17(18)21(28)26-27/h5-13H,1-4H3,(H,26,28)