N4-(3-bromophenyl)-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(3-bromophenyl)-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Openeye Name: N4-(3-bromophenyl)-5-nitro-N6-[2-(2-thienyl)ethyl]pyrimidine-4,6-diamine CAS Name: N4-(3-bromophenyl)-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(3-bromophenyl)-5-nitro-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Traditional Name: [6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]-[2-(2-thienyl)ethyl]amine Formula: C16H14BrN5O2S MolecularWeight: 420.28366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C16H14BrN5O2S/c17-11-3-1-4-12(9-11)21-16-14(22(23)24)15(19-10-20-16)18-7-6-13-5-2-8-25-13/h1-5,8-10H,6-7H2,(H2,18,19,20,21)