2-[2,6-dimethyl-4-(3-phenylpropoxy)phenyl]sulfanyl-4,6-dimethyl-pyrimidine

Systemtic Name: 2-[2,6-dimethyl-4-(3-phenylpropoxy)phenyl]sulfanyl-4,6-dimethyl-pyrimidine Openeye Name: 2-[2,6-dimethyl-4-(3-phenylpropoxy)phenyl]sulfanyl-4,6-dimethyl-pyrimidine CAS Name: 2-[[2,6-dimethyl-4-(3-phenylpropoxy)phenyl]thio]-4,6-dimethylpyrimidine IUPAC Name: 2-[2,6-dimethyl-4-(3-phenylpropoxy)phenyl]sulfanyl-4,6-dimethylpyrimidine Traditional Name: 2-[[2,6-dimethyl-4-(3-phenylpropoxy)phenyl]thio]-4,6-dimethyl-pyrimidine Formula: C23H26N2OS MolecularWeight: 378.53034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1SC2=NC(=CC(=N2)C)C)C)OCCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1SC2=NC(=CC(=N2)C)C)C)OCCCC3=CC=CC=C3

InChI

InChI=1S/C23H26N2OS/c1-16-13-21(26-12-8-11-20-9-6-5-7-10-20)14-17(2)22(16)27-23-24-18(3)15-19(4)25-23/h5-7,9-10,13-15H,8,11-12H2,1-4H3