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

Systemtic Name: 2-[2-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-3-ethoxy-phenyl]-1,4,5,6-tetrahydropyrimidin-5-ol Openeye Name: 2-[2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-3-ethoxy-phenyl]-1,4,5,6-tetrahydropyrimidin-5-ol CAS Name: 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-ethoxyphenyl]-1,4,5,6-tetrahydropyrimidin-5-ol IUPAC Name: 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-ethoxyphenyl]-1,4,5,6-tetrahydropyrimidin-5-ol Traditional Name: 2-[2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-3-ethoxy-phenyl]-1,4,5,6-tetrahydropyrimidin-5-ol Formula: C21H25BrN2O3 MolecularWeight: 433.3388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1CCC2=C(C=CC(=C2)Br)OC)C3=NCC(CN3)O

Isomeric SMILES

CCOC1=CC=CC(=C1CCC2=C(C=CC(=C2)Br)OC)C3=NCC(CN3)O

InChI

InChI=1S/C21H25BrN2O3/c1-3-27-20-6-4-5-18(21-23-12-16(25)13-24-21)17(20)9-7-14-11-15(22)8-10-19(14)26-2/h4-6,8,10-11,16,25H,3,7,9,12-13H2,1-2H3,(H,23,24)