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

Systemtic Name: N4-cyclohexyl-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Openeye Name: N4-cyclohexyl-5-nitro-N6-[2-(2-thienyl)ethyl]pyrimidine-4,6-diamine CAS Name: N4-cyclohexyl-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-cyclohexyl-5-nitro-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Traditional Name: cyclohexyl-[5-nitro-6-[2-(2-thienyl)ethylamino]pyrimidin-4-yl]amine Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O2S/c22-21(23)14-15(17-9-8-13-7-4-10-24-13)18-11-19-16(14)20-12-5-2-1-3-6-12/h4,7,10-12H,1-3,5-6,8-9H2,(H2,17,18,19,20)