N4-methyl-5-nitro-N6-(4-phenoxyphenyl)-N4-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-methyl-5-nitro-N6-(4-phenoxyphenyl)-N4-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N4-methyl-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: N4-methyl-5-nitro-N6-(4-phenoxyphenyl)-N4-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-4-N-methyl-5-nitro-6-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: benzyl-methyl-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amine Formula: C24H21N5O3 MolecularWeight: 427.45524

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H21N5O3/c1-28(16-18-8-4-2-5-9-18)24-22(29(30)31)23(25-17-26-24)27-19-12-14-21(15-13-19)32-20-10-6-3-7-11-20/h2-15,17H,16H2,1H3,(H,25,26,27)