N6-[(4-methylphenyl)methyl]-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

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