N2,N4-bis(2-bromanyl-4,5-dimethyl-phenyl)-6-methyl-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2,N4-bis(2-bromanyl-4,5-dimethyl-phenyl)-6-methyl-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2,N4-bis(2-bromo-4,5-dimethyl-phenyl)-6-methyl-5-nitro-pyrimidine-2,4-diamine CAS Name: N2,N4-bis(2-bromo-4,5-dimethylphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N,4-N-bis(2-bromo-4,5-dimethylphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine Traditional Name: [2-(2-bromo-4,5-dimethyl-anilino)-6-methyl-5-nitro-pyrimidin-4-yl]-(2-bromo-4,5-dimethyl-phenyl)amine Formula: C21H21Br2N5O2 MolecularWeight: 535.23174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)Br)NC2=NC(=NC(=C2[N+](=O)[O-])C)NC3=C(C=C(C(=C3)C)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1C)Br)NC2=NC(=NC(=C2[N+](=O)[O-])C)NC3=C(C=C(C(=C3)C)C)Br

InChI

InChI=1S/C21H21Br2N5O2/c1-10-6-15(22)17(8-12(10)3)25-20-19(28(29)30)14(5)24-21(27-20)26-18-9-13(4)11(2)7-16(18)23/h6-9H,1-5H3,(H2,24,25,26,27)