2-[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-ethoxy-phenyl]-1,4,5,6-tetrahydropyrimidin-5-ol

Systemtic Name: 2-[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-ethoxy-phenyl]-1,4,5,6-tetrahydropyrimidin-5-ol Openeye Name: 2-[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-3-ethoxy-phenyl]-1,4,5,6-tetrahydropyrimidin-5-ol CAS Name: 2-[2-[(5-bromo-2-methoxyphenyl)methylthio]-3-ethoxyphenyl]-1,4,5,6-tetrahydropyrimidin-5-ol IUPAC Name: 2-[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-ethoxyphenyl]-1,4,5,6-tetrahydropyrimidin-5-ol Traditional Name: 2-[2-[(5-bromo-2-methoxy-benzyl)thio]-3-ethoxy-phenyl]-1,4,5,6-tetrahydropyrimidin-5-ol Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1SCC2=C(C=CC(=C2)Br)OC)C3=NCC(CN3)O

Isomeric SMILES

CCOC1=CC=CC(=C1SCC2=C(C=CC(=C2)Br)OC)C3=NCC(CN3)O

InChI

InChI=1S/C20H23BrN2O3S/c1-3-26-18-6-4-5-16(20-22-10-15(24)11-23-20)19(18)27-12-13-9-14(21)7-8-17(13)25-2/h4-9,15,24H,3,10-12H2,1-2H3,(H,22,23)