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

Systemtic Name: N6-(3-bromophenyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N4,N4-dibenzyl-N6-(3-bromophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-bromophenyl)-5-nitro-N4,N4-bis(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N,4-N-dibenzyl-6-N-(3-bromophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: dibenzyl-[6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C24H20BrN5O2 MolecularWeight: 490.3519

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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(=CC=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C24H20BrN5O2/c25-20-12-7-13-21(14-20)28-23-22(30(31)32)24(27-17-26-23)29(15-18-8-3-1-4-9-18)16-19-10-5-2-6-11-19/h1-14,17H,15-16H2,(H,26,27,28)