2-(4-chloranylphenoxy)-2-methyl-1-pyrimidin-5-yl-propan-1-one; 3-(4-chlorophenyl)sulfanyl-2,2-dimethyl-1-pyrimidin-5-yl-propan-1-one

Systemtic Name: 2-(4-chloranylphenoxy)-2-methyl-1-pyrimidin-5-yl-propan-1-one; 3-(4-chlorophenyl)sulfanyl-2,2-dimethyl-1-pyrimidin-5-yl-propan-1-one Openeye Name: 2-(4-chlorophenoxy)-2-methyl-1-pyrimidin-5-yl-propan-1-one; 3-(4-chlorophenyl)sulfanyl-2,2-dimethyl-1-pyrimidin-5-yl-propan-1-one CAS Name: 2-(4-chlorophenoxy)-2-methyl-1-(5-pyrimidinyl)-1-propanone; 3-[(4-chlorophenyl)thio]-2,2-dimethyl-1-(5-pyrimidinyl)-1-propanone IUPAC Name: 2-(4-chlorophenoxy)-2-methyl-1-pyrimidin-5-ylpropan-1-one; 3-(4-chlorophenyl)sulfanyl-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-one Traditional Name: 2-(4-chlorophenoxy)-2-methyl-1-(5-pyrimidyl)propan-1-one; 3-[(4-chlorophenyl)thio]-2,2-dimethyl-1-(5-pyrimidyl)propan-1-one Formula: C29H28Cl2N4O3S MolecularWeight: 583.52862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CSC1=CC=C(C=C1)Cl)C(=O)C2=CN=CN=C2.CC(C)(C(=O)C1=CN=CN=C1)OC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(CSC1=CC=C(C=C1)Cl)C(=O)C2=CN=CN=C2.CC(C)(C(=O)C1=CN=CN=C1)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H15ClN2OS.C14H13ClN2O2/c1-15(2,14(19)11-7-17-10-18-8-11)9-20-13-5-3-12(16)4-6-13;1-14(2,13(18)10-7-16-9-17-8-10)19-12-5-3-11(15)4-6-12/h3-8,10H,9H2,1-2H3;3-9H,1-2H3