5-bromanyl-6-(4-isocyano-2,6-dimethyl-phenoxy)-N2-(4-methylphenyl)pyrimidine-2,4-diamine

Systemtic Name: 5-bromanyl-6-(4-isocyano-2,6-dimethyl-phenoxy)-N2-(4-methylphenyl)pyrimidine-2,4-diamine Openeye Name: 5-bromo-6-(4-isocyano-2,6-dimethyl-phenoxy)-N2-(p-tolyl)pyrimidine-2,4-diamine CAS Name: 5-bromo-6-(4-isocyano-2,6-dimethylphenoxy)-N2-(4-methylphenyl)pyrimidine-2,4-diamine IUPAC Name: 5-bromo-6-(4-isocyano-2,6-dimethylphenoxy)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine Traditional Name: [4-amino-5-bromo-6-(4-isocyano-2,6-dimethyl-phenoxy)pyrimidin-2-yl]-(p-tolyl)amine Formula: C20H18BrN5O MolecularWeight: 424.29382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=C(C(=N2)OC3=C(C=C(C=C3C)[N+]#[C-])C)Br)N

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=C(C(=N2)OC3=C(C=C(C=C3C)[N+]#[C-])C)Br)N

InChI

InChI=1S/C20H18BrN5O/c1-11-5-7-14(8-6-11)24-20-25-18(22)16(21)19(26-20)27-17-12(2)9-15(23-4)10-13(17)3/h5-10H,1-3H3,(H3,22,24,25,26)