N4-[[4-(dimethylaminomethyl)phenyl]methyl]-N2-[(2-methylsulfanylphenyl)methyl]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-[[4-(dimethylaminomethyl)phenyl]methyl]-N2-[(2-methylsulfanylphenyl)methyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-[[4-(dimethylaminomethyl)phenyl]methyl]-N2-[(2-methylsulfanylphenyl)methyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-[[4-(dimethylaminomethyl)phenyl]methyl]-N2-[[2-(methylthio)phenyl]methyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-[[4-(dimethylaminomethyl)phenyl]methyl]-2-N-[(2-methylsulfanylphenyl)methyl]-5-nitropyrimidine-2,4-diamine Traditional Name: dimethyl-[4-[[[2-[[2-(methylthio)benzyl]amino]-5-nitro-pyrimidin-4-yl]amino]methyl]benzyl]amine Formula: C22H26N6O2S MolecularWeight: 438.54584

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(C=C1)CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=CC=C3SC

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=CC=C3SC

InChI

InChI=1S/C22H26N6O2S/c1-27(2)15-17-10-8-16(9-11-17)12-23-21-19(28(29)30)14-25-22(26-21)24-13-18-6-4-5-7-20(18)31-3/h4-11,14H,12-13,15H2,1-3H3,(H2,23,24,25,26)