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

Systemtic Name: N2-[(2-methylsulfanylphenyl)methyl]-5-nitro-N4-(piperidin-4-ylmethyl)pyrimidine-2,4-diamine Openeye Name: N2-[(2-methylsulfanylphenyl)methyl]-5-nitro-N4-(4-piperidylmethyl)pyrimidine-2,4-diamine CAS Name: N2-[[2-(methylthio)phenyl]methyl]-5-nitro-N4-(4-piperidinylmethyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-[(2-methylsulfanylphenyl)methyl]-5-nitro-4-N-(piperidin-4-ylmethyl)pyrimidine-2,4-diamine Traditional Name: [2-(methylthio)benzyl]-[5-nitro-4-(4-piperidylmethylamino)pyrimidin-2-yl]amine Formula: C18H24N6O2S MolecularWeight: 388.48716

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1CNC2=NC=C(C(=N2)NCC3CCNCC3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC=C1CNC2=NC=C(C(=N2)NCC3CCNCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H24N6O2S/c1-27-16-5-3-2-4-14(16)11-21-18-22-12-15(24(25)26)17(23-18)20-10-13-6-8-19-9-7-13/h2-5,12-13,19H,6-11H2,1H3,(H2,20,21,22,23)