N2-(3-bromophenyl)-N4,6-dimethyl-5-nitro-N4-phenyl-pyrimidine-2,4-diamine

Systemtic Name: N2-(3-bromophenyl)-N4,6-dimethyl-5-nitro-N4-phenyl-pyrimidine-2,4-diamine Openeye Name: N2-(3-bromophenyl)-N4,6-dimethyl-5-nitro-N4-phenyl-pyrimidine-2,4-diamine CAS Name: N2-(3-bromophenyl)-N4,6-dimethyl-5-nitro-N4-phenylpyrimidine-2,4-diamine IUPAC Name: 2-N-(3-bromophenyl)-4-N,6-dimethyl-5-nitro-4-N-phenylpyrimidine-2,4-diamine Traditional Name: [2-(3-bromoanilino)-6-methyl-5-nitro-pyrimidin-4-yl]-methyl-phenyl-amine Formula: C18H16BrN5O2 MolecularWeight: 414.25594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC2=CC(=CC=C2)Br)N(C)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)NC2=CC(=CC=C2)Br)N(C)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16BrN5O2/c1-12-16(24(25)26)17(23(2)15-9-4-3-5-10-15)22-18(20-12)21-14-8-6-7-13(19)11-14/h3-11H,1-2H3,(H,20,21,22)