2-methylsulfanyl-5-nitro-N6-pentyl-N4-propan-2-yl-pyrimidine-4,6-diamine

Systemtic Name: 2-methylsulfanyl-5-nitro-N6-pentyl-N4-propan-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-isopropyl-2-methylsulfanyl-5-nitro-N6-pentyl-pyrimidine-4,6-diamine CAS Name: 2-(methylthio)-5-nitro-N6-pentyl-N4-propan-2-ylpyrimidine-4,6-diamine IUPAC Name: 2-methylsulfanyl-5-nitro-6-N-pentyl-4-N-propan-2-ylpyrimidine-4,6-diamine Traditional Name: amyl-[6-(isopropylamino)-2-(methylthio)-5-nitro-pyrimidin-4-yl]amine Formula: C13H23N5O2S MolecularWeight: 313.41902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=C(C(=NC(=N1)SC)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCNC1=C(C(=NC(=N1)SC)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H23N5O2S/c1-5-6-7-8-14-11-10(18(19)20)12(15-9(2)3)17-13(16-11)21-4/h9H,5-8H2,1-4H3,(H2,14,15,16,17)