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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)-2-methyl-1,2,5,6-tetrahydropyrimidin-6-yl]-4-bromanyl-phenol Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)-2-methyl-1,2,5,6-tetrahydropyrimidin-6-yl]-4-bromo-phenol CAS Name: 2-[4-(1,3-benzodioxol-5-yl)-2-methyl-1,2,5,6-tetrahydropyrimidin-6-yl]-4-bromophenol IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)-2-methyl-1,2,5,6-tetrahydropyrimidin-6-yl]-4-bromophenol Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)-2-methyl-1,2,5,6-tetrahydropyrimidin-6-yl]-4-bromo-phenol Formula: C18H17BrN2O3 MolecularWeight: 389.24318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1NC(CC(=N1)C2=CC3=C(C=C2)OCO3)C4=C(C=CC(=C4)Br)O

Isomeric SMILES

CC1NC(CC(=N1)C2=CC3=C(C=C2)OCO3)C4=C(C=CC(=C4)Br)O

InChI

InChI=1S/C18H17BrN2O3/c1-10-20-14(11-2-5-17-18(6-11)24-9-23-17)8-15(21-10)13-7-12(19)3-4-16(13)22/h2-7,10,15,21-22H,8-9H2,1H3