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

Systemtic Name: N6-butyl-5-nitro-N4-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Openeye Name: N6-butyl-5-nitro-N4-[2-(2-thienyl)ethyl]pyrimidine-4,6-diamine CAS Name: N6-butyl-5-nitro-N4-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-5-nitro-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Traditional Name: butyl-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]amine Formula: C14H19N5O2S MolecularWeight: 321.39796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NCCC2=CC=CS2

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NCCC2=CC=CS2

InChI

InChI=1S/C14H19N5O2S/c1-2-3-7-15-13-12(19(20)21)14(18-10-17-13)16-8-6-11-5-4-9-22-11/h4-5,9-10H,2-3,6-8H2,1H3,(H2,15,16,17,18)