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

Systemtic Name: 5-nitro-N6-(4-phenoxyphenyl)-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4,N4-dibenzyl-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-(4-phenoxyphenyl)-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-dibenzyl-5-nitro-6-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: dibenzyl-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amine Formula: C30H25N5O3 MolecularWeight: 503.5512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C30H25N5O3/c36-35(37)28-29(33-25-16-18-27(19-17-25)38-26-14-8-3-9-15-26)31-22-32-30(28)34(20-23-10-4-1-5-11-23)21-24-12-6-2-7-13-24/h1-19,22H,20-21H2,(H,31,32,33)