2-[4-(1,3-benzodioxol-5-yl)-2-hexyl-2-methyl-5,6-dihydro-1H-pyrimidin-6-yl]-4-bromanyl-phenol

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)-2-hexyl-2-methyl-5,6-dihydro-1H-pyrimidin-6-yl]-4-bromanyl-phenol Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)-2-hexyl-2-methyl-5,6-dihydro-1H-pyrimidin-6-yl]-4-bromo-phenol CAS Name: 2-[4-(1,3-benzodioxol-5-yl)-2-hexyl-2-methyl-5,6-dihydro-1H-pyrimidin-6-yl]-4-bromophenol IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)-2-hexyl-2-methyl-5,6-dihydro-1H-pyrimidin-6-yl]-4-bromophenol Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)-2-hexyl-2-methyl-5,6-dihydro-1H-pyrimidin-6-yl]-4-bromo-phenol Formula: C24H29BrN2O3 MolecularWeight: 473.40266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(NC(CC(=N1)C2=CC3=C(C=C2)OCO3)C4=C(C=CC(=C4)Br)O)C

Isomeric SMILES

CCCCCCC1(NC(CC(=N1)C2=CC3=C(C=C2)OCO3)C4=C(C=CC(=C4)Br)O)C

InChI

InChI=1S/C24H29BrN2O3/c1-3-4-5-6-11-24(2)26-19(16-7-10-22-23(12-16)30-15-29-22)14-20(27-24)18-13-17(25)8-9-21(18)28/h7-10,12-13,20,27-28H,3-6,11,14-15H2,1-2H3