N4-(3-bromophenyl)-5-nitro-N6-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(3-bromophenyl)-5-nitro-N6-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-(3-bromophenyl)-5-nitro-N6-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,6-diamine CAS Name: N4-(3-bromophenyl)-5-nitro-N6-(2-oxolanylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-bromophenyl)-5-nitro-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine Traditional Name: [6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]-(tetrahydrofurfuryl)amine Formula: C15H16BrN5O3 MolecularWeight: 394.22324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)Br

Isomeric SMILES

C1CC(OC1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)Br

InChI

InChI=1S/C15H16BrN5O3/c16-10-3-1-4-11(7-10)20-15-13(21(22)23)14(18-9-19-15)17-8-12-5-2-6-24-12/h1,3-4,7,9,12H,2,5-6,8H2,(H2,17,18,19,20)