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

Systemtic Name: N4-(3-bromophenyl)-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-benzyl-N4-(3-bromophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3-bromophenyl)-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-benzyl-4-N-(3-bromophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H14BrN5O2 MolecularWeight: 400.22936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrN5O2/c18-13-7-4-8-14(9-13)22-17-15(23(24)25)16(20-11-21-17)19-10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H2,19,20,21,22)