N4-[2-(2-azanylethylsulfanyl)ethyl]-N2-(4-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-[2-(2-azanylethylsulfanyl)ethyl]-N2-(4-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-[2-(2-aminoethylsulfanyl)ethyl]-N2-(4-chlorophenyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-[2-(2-aminoethylthio)ethyl]-N2-(4-chlorophenyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-[2-(2-aminoethylsulfanyl)ethyl]-2-N-(4-chlorophenyl)-5-nitropyrimidine-2,4-diamine Traditional Name: 2-(2-aminoethylthio)ethyl-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C14H17ClN6O2S MolecularWeight: 368.84178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC=C(C(=N2)NCCSCCN)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1NC2=NC=C(C(=N2)NCCSCCN)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H17ClN6O2S/c15-10-1-3-11(4-2-10)19-14-18-9-12(21(22)23)13(20-14)17-6-8-24-7-5-16/h1-4,9H,5-8,16H2,(H2,17,18,19,20)