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

Systemtic Name: 5-nitro-N4-(3-nitrophenyl)-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-(3-nitrophenyl)-N6-[2-(2-thienyl)ethyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(3-nitrophenyl)-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N-(3-nitrophenyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]-[2-(2-thienyl)ethyl]amine Formula: C16H14N6O4S MolecularWeight: 386.38516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N6O4S/c23-21(24)12-4-1-3-11(9-12)20-16-14(22(25)26)15(18-10-19-16)17-7-6-13-5-2-8-27-13/h1-5,8-10H,6-7H2,(H2,17,18,19,20)