4-bromanyl-2-[4-(4-ethylphenyl)-2-pyridin-3-yl-1,2,5,6-tetrahydropyrimidin-6-yl]phenol

Systemtic Name: 4-bromanyl-2-[4-(4-ethylphenyl)-2-pyridin-3-yl-1,2,5,6-tetrahydropyrimidin-6-yl]phenol Openeye Name: 4-bromo-2-[4-(4-ethylphenyl)-2-(3-pyridyl)-1,2,5,6-tetrahydropyrimidin-6-yl]phenol CAS Name: 4-bromo-2-[4-(4-ethylphenyl)-2-(3-pyridinyl)-1,2,5,6-tetrahydropyrimidin-6-yl]phenol IUPAC Name: 4-bromo-2-[4-(4-ethylphenyl)-2-pyridin-3-yl-1,2,5,6-tetrahydropyrimidin-6-yl]phenol Traditional Name: 4-bromo-2-[4-(4-ethylphenyl)-2-(3-pyridyl)-1,2,5,6-tetrahydropyrimidin-6-yl]phenol Formula: C23H22BrN3O MolecularWeight: 436.34428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(NC(C2)C3=C(C=CC(=C3)Br)O)C4=CN=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(NC(C2)C3=C(C=CC(=C3)Br)O)C4=CN=CC=C4

InChI

InChI=1S/C23H22BrN3O/c1-2-15-5-7-16(8-6-15)20-13-21(19-12-18(24)9-10-22(19)28)27-23(26-20)17-4-3-11-25-14-17/h3-12,14,21,23,27-28H,2,13H2,1H3