N4,N6-dicyclopentyl-2-methylsulfanyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4,N6-dicyclopentyl-2-methylsulfanyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4,N6-dicyclopentyl-2-methylsulfanyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4,N6-dicyclopentyl-2-(methylthio)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N,6-N-dicyclopentyl-2-methylsulfanyl-5-nitropyrimidine-4,6-diamine Traditional Name: cyclopentyl-[6-(cyclopentylamino)-2-(methylthio)-5-nitro-pyrimidin-4-yl]amine Formula: C15H23N5O2S MolecularWeight: 337.44042

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)NC2CCCC2)[N+](=O)[O-])NC3CCCC3

Isomeric SMILES

CSC1=NC(=C(C(=N1)NC2CCCC2)[N+](=O)[O-])NC3CCCC3

InChI

InChI=1S/C15H23N5O2S/c1-23-15-18-13(16-10-6-2-3-7-10)12(20(21)22)14(19-15)17-11-8-4-5-9-11/h10-11H,2-9H2,1H3,(H2,16,17,18,19)