N2,N4-bis(2,3-dimethylphenyl)-6-methyl-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2,N4-bis(2,3-dimethylphenyl)-6-methyl-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2,N4-bis(2,3-dimethylphenyl)-6-methyl-5-nitro-pyrimidine-2,4-diamine CAS Name: N2,N4-bis(2,3-dimethylphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N,4-N-bis(2,3-dimethylphenyl)-6-methyl-5-nitropyrimidine-2,4-diamine Traditional Name: [2-(2,3-dimethylanilino)-6-methyl-5-nitro-pyrimidin-4-yl]-(2,3-dimethylphenyl)amine Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=NC(=NC(=C2[N+](=O)[O-])C)NC3=CC=CC(=C3C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=NC(=NC(=C2[N+](=O)[O-])C)NC3=CC=CC(=C3C)C)C

InChI

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