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

Systemtic Name: N4-(3-bromophenyl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine Openeye Name: N4-(3-bromophenyl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine CAS Name: N4-(3-bromophenyl)-5-nitro-N6-phenethylpyrimidine-4,6-diamine IUPAC Name: 4-N-(3-bromophenyl)-5-nitro-6-N-phenethylpyrimidine-4,6-diamine Traditional Name: [6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]-phenethyl-amine Formula: C18H16BrN5O2 MolecularWeight: 414.25594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H16BrN5O2/c19-14-7-4-8-15(11-14)23-18-16(24(25)26)17(21-12-22-18)20-10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H2,20,21,22,23)