N2-(4-chlorophenyl)-N4-(2-methylsulfanylethyl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-(4-chlorophenyl)-N4-(2-methylsulfanylethyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-(4-chlorophenyl)-N4-(2-methylsulfanylethyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-(4-chlorophenyl)-N4-[2-(methylthio)ethyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-(4-chlorophenyl)-4-N-(2-methylsulfanylethyl)-5-nitropyrimidine-2,4-diamine Traditional Name: [2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-[2-(methylthio)ethyl]amine Formula: C13H14ClN5O2S MolecularWeight: 339.80056

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Descriptors Computed from Structure

Canonical SMILES:

CSCCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl

Isomeric SMILES

CSCCNC1=NC(=NC=C1[N+](=O)[O-])NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H14ClN5O2S/c1-22-7-6-15-12-11(19(20)21)8-16-13(18-12)17-10-4-2-9(14)3-5-10/h2-5,8H,6-7H2,1H3,(H2,15,16,17,18)