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

Systemtic Name: 3-[6-(4-chloranyl-3,5-dimethyl-phenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-2H-phthalazine-1,4-dione Openeye Name: 3-[6-(4-chloro-3,5-dimethyl-phenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-2H-phthalazine-1,4-dione CAS Name: 3-[6-(4-chloro-3,5-dimethylphenoxy)-2-(methylthio)-4-pyrimidinyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[6-(4-chloro-3,5-dimethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]-2H-phthalazine-1,4-dione Traditional Name: 3-[6-(4-chloro-3,5-dimethyl-phenoxy)-2-(methylthio)pyrimidin-4-yl]-2H-phthalazine-1,4-quinone Formula: C21H17ClN4O3S MolecularWeight: 440.90268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN4O3S/c1-11-8-13(9-12(2)18(11)22)29-17-10-16(23-21(24-17)30-3)26-20(28)15-7-5-4-6-14(15)19(27)25-26/h4-10H,1-3H3,(H,25,27)