N4-methyl-5-nitro-N4-phenyl-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-methyl-5-nitro-N4-phenyl-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Openeye Name: N4-methyl-5-nitro-N4-phenyl-N6-[2-(2-thienyl)ethyl]pyrimidine-4,6-diamine CAS Name: N4-methyl-5-nitro-N4-phenyl-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-methyl-5-nitro-4-N-phenyl-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Traditional Name: methyl-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]-phenyl-amine Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC=CS3

Isomeric SMILES

CN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NCCC3=CC=CS3

InChI

InChI=1S/C17H17N5O2S/c1-21(13-6-3-2-4-7-13)17-15(22(23)24)16(19-12-20-17)18-10-9-14-8-5-11-25-14/h2-8,11-12H,9-10H2,1H3,(H,18,19,20)