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N6-ethyl-N4-(3-methylbutyl)-2-methylsulfanyl-5-nitro-pyrimidine-4,6-diamine

N6-ethyl-N4-(3-methylbutyl)-2-methylsulfanyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name:N6-ethyl-N4-(3-methylbutyl)-2-methylsulfanyl-5-nitro-pyrimidine-4,6-diamine
Openeye Name:N6-ethyl-N4-isopentyl-2-methylsulfanyl-5-nitro-pyrimidine-4,6-diamine
CAS Name:N6-ethyl-N4-(3-methylbutyl)-2-(methylthio)-5-nitropyrimidine-4,6-diamine
IUPAC Name:6-N-ethyl-4-N-(3-methylbutyl)-2-methylsulfanyl-5-nitropyrimidine-4,6-diamine
Traditional Name:ethyl-[6-(isoamylamino)-2-(methylthio)-5-nitro-pyrimidin-4-yl]amine
Formula: C12H21N5O2S
MolecularWeight: 299.39244
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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C(=NC(=N1)SC)NCCC(C)C)[N+](=O)[O-]


Isomeric SMILES

CCNC1=C(C(=NC(=N1)SC)NCCC(C)C)[N+](=O)[O-]


InChI

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


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