N4,N6-bis(2,4-dimethylphenyl)-2-methyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4,N6-bis(2,4-dimethylphenyl)-2-methyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4,N6-bis(2,4-dimethylphenyl)-2-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4,N6-bis(2,4-dimethylphenyl)-2-methyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N,6-N-bis(2,4-dimethylphenyl)-2-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2,4-dimethylanilino)-2-methyl-5-nitro-pyrimidin-4-yl]-(2,4-dimethylphenyl)amine Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C(C(=NC(=N2)C)NC3=C(C=C(C=C3)C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C(C(=NC(=N2)C)NC3=C(C=C(C=C3)C)C)[N+](=O)[O-])C

InChI

InChI=1S/C21H23N5O2/c1-12-6-8-17(14(3)10-12)24-20-19(26(27)28)21(23-16(5)22-20)25-18-9-7-13(2)11-15(18)4/h6-11H,1-5H3,(H2,22,23,24,25)