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

Systemtic Name: N6-ethyl-2-methylsulfanyl-5-nitro-N4-pentan-3-yl-pyrimidine-4,6-diamine Openeye Name: N6-ethyl-N4-(1-ethylpropyl)-2-methylsulfanyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-ethyl-2-(methylthio)-5-nitro-N4-pentan-3-ylpyrimidine-4,6-diamine IUPAC Name: 6-N-ethyl-2-methylsulfanyl-5-nitro-4-N-pentan-3-ylpyrimidine-4,6-diamine Traditional Name: ethyl-[6-(1-ethylpropylamino)-2-(methylthio)-5-nitro-pyrimidin-4-yl]amine Formula: C12H21N5O2S MolecularWeight: 299.39244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21N5O2S/c1-5-8(6-2)14-11-9(17(18)19)10(13-7-3)15-12(16-11)20-4/h8H,5-7H2,1-4H3,(H2,13,14,15,16)