2-methylsulfanyl-5-nitro-N4-pentan-3-yl-N6-propan-2-yl-pyrimidine-4,6-diamine

Systemtic Name: 2-methylsulfanyl-5-nitro-N4-pentan-3-yl-N6-propan-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-(1-ethylpropyl)-N6-isopropyl-2-methylsulfanyl-5-nitro-pyrimidine-4,6-diamine CAS Name: 2-(methylthio)-5-nitro-N4-pentan-3-yl-N6-propan-2-ylpyrimidine-4,6-diamine IUPAC Name: 2-methylsulfanyl-5-nitro-4-N-pentan-3-yl-6-N-propan-2-ylpyrimidine-4,6-diamine Traditional Name: 1-ethylpropyl-[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:

CCC(CC)NC1=NC(=NC(=C1[N+](=O)[O-])NC(C)C)SC

Isomeric SMILES

CCC(CC)NC1=NC(=NC(=C1[N+](=O)[O-])NC(C)C)SC

InChI

InChI=1S/C13H23N5O2S/c1-6-9(7-2)15-12-10(18(19)20)11(14-8(3)4)16-13(17-12)21-5/h8-9H,6-7H2,1-5H3,(H2,14,15,16,17)