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

Systemtic Name: 5-nitro-N4-(pyridin-3-ylmethyl)-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-(3-pyridylmethyl)-N6-[2-(2-thienyl)ethyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(3-pyridinylmethyl)-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N-(pyridin-3-ylmethyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]-[2-(2-thienyl)ethyl]amine Formula: C16H16N6O2S MolecularWeight: 356.40224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)CNC2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N6O2S/c23-22(24)14-15(18-7-5-13-4-2-8-25-13)20-11-21-16(14)19-10-12-3-1-6-17-9-12/h1-4,6,8-9,11H,5,7,10H2,(H2,18,19,20,21)