N4-ethyl-N4-(3-methylphenyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine

Systemtic Name: N4-ethyl-N4-(3-methylphenyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine Openeye Name: N4-ethyl-N4-(m-tolyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: N4-ethyl-N4-(3-methylphenyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-ethyl-4-N-(3-methylphenyl)-5-nitro-6-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: ethyl-(m-tolyl)-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amine Formula: C25H23N5O3 MolecularWeight: 441.48182

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H23N5O3/c1-3-29(20-9-7-8-18(2)16-20)25-23(30(31)32)24(26-17-27-25)28-19-12-14-22(15-13-19)33-21-10-5-4-6-11-21/h4-17H,3H2,1-2H3,(H,26,27,28)