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

Systemtic Name: N4-(4-bromophenyl)-5-nitro-N6-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Openeye Name: N4-(4-bromophenyl)-5-nitro-N6-(3-pyridylmethyl)pyrimidine-4,6-diamine CAS Name: N4-(4-bromophenyl)-5-nitro-N6-(3-pyridinylmethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-bromophenyl)-5-nitro-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine Traditional Name: [6-(4-bromoanilino)-5-nitro-pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C16H13BrN6O2 MolecularWeight: 401.21742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrN6O2/c17-12-3-5-13(6-4-12)22-16-14(23(24)25)15(20-10-21-16)19-9-11-2-1-7-18-8-11/h1-8,10H,9H2,(H2,19,20,21,22)