5-[3-[2-bromanyl-4-(4-bromophenyl)phenoxy]propoxy]-6-methyl-pyrimidine-2,4-diamine hydrochloride

Systemtic Name: 5-[3-[2-bromanyl-4-(4-bromophenyl)phenoxy]propoxy]-6-methyl-pyrimidine-2,4-diamine hydrochloride Openeye Name: 5-[3-[2-bromo-4-(4-bromophenyl)phenoxy]propoxy]-6-methyl-pyrimidine-2,4-diamine hydrochloride CAS Name: 5-[3-[2-bromo-4-(4-bromophenyl)phenoxy]propoxy]-6-methylpyrimidine-2,4-diamine hydrochloride IUPAC Name: 5-[3-[2-bromo-4-(4-bromophenyl)phenoxy]propoxy]-6-methylpyrimidine-2,4-diamine hydrochloride Traditional Name: [2-amino-5-[3-[2-bromo-4-(4-bromophenyl)phenoxy]propoxy]-6-methyl-pyrimidin-4-yl]amine hydrochloride Formula: C20H21Br2ClN4O2 MolecularWeight: 544.66734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N)N)OCCCOC2=C(C=C(C=C2)C3=CC=C(C=C3)Br)Br.Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)N)N)OCCCOC2=C(C=C(C=C2)C3=CC=C(C=C3)Br)Br.Cl

InChI

InChI=1S/C20H20Br2N4O2.ClH/c1-12-18(19(23)26-20(24)25-12)28-10-2-9-27-17-8-5-14(11-16(17)22)13-3-6-15(21)7-4-13;/h3-8,11H,2,9-10H2,1H3,(H4,23,24,25,26);1H