N4,N6-bis(3,5-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4,N6-bis(3,5-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4,N6-bis(3,5-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4,N6-bis(3,5-dimethylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N,6-N-bis(3,5-dimethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3,5-dimethylanilino)-5-nitro-pyrimidin-4-yl]-(3,5-dimethylphenyl)amine Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O2/c1-12-5-13(2)8-16(7-12)23-19-18(25(26)27)20(22-11-21-19)24-17-9-14(3)6-15(4)10-17/h5-11H,1-4H3,(H2,21,22,23,24)