N4-[(1-methylpiperidin-4-yl)methyl]-N2-[(2-methylsulfanylphenyl)methyl]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-[(1-methylpiperidin-4-yl)methyl]-N2-[(2-methylsulfanylphenyl)methyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-[(1-methyl-4-piperidyl)methyl]-N2-[(2-methylsulfanylphenyl)methyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-[(1-methyl-4-piperidinyl)methyl]-N2-[[2-(methylthio)phenyl]methyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-[(1-methylpiperidin-4-yl)methyl]-2-N-[(2-methylsulfanylphenyl)methyl]-5-nitropyrimidine-2,4-diamine Traditional Name: (1-methyl-4-piperidyl)methyl-[2-[[2-(methylthio)benzyl]amino]-5-nitro-pyrimidin-4-yl]amine Formula: C19H26N6O2S MolecularWeight: 402.51374

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=CC=C3SC

Isomeric SMILES

CN1CCC(CC1)CNC2=NC(=NC=C2[N+](=O)[O-])NCC3=CC=CC=C3SC

InChI

InChI=1S/C19H26N6O2S/c1-24-9-7-14(8-10-24)11-20-18-16(25(26)27)13-22-19(23-18)21-12-15-5-3-4-6-17(15)28-2/h3-6,13-14H,7-12H2,1-2H3,(H2,20,21,22,23)