2-[[6-(ethylamino)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]ethanenitrile

Systemtic Name: 2-[[6-(ethylamino)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]ethanenitrile Openeye Name: 2-[[6-(ethylamino)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]amino]acetonitrile CAS Name: 2-[[6-(ethylamino)-2-(methylthio)-5-nitro-4-pyrimidinyl]amino]acetonitrile IUPAC Name: 2-[[6-(ethylamino)-2-methylsulfanyl-5-nitropyrimidin-4-yl]amino]acetonitrile Traditional Name: 2-[[6-(ethylamino)-2-(methylthio)-5-nitro-pyrimidin-4-yl]amino]acetonitrile Formula: C9H12N6O2S MolecularWeight: 268.29558

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC(=C1[N+](=O)[O-])NCC#N)SC

Isomeric SMILES

CCNC1=NC(=NC(=C1[N+](=O)[O-])NCC#N)SC

InChI

InChI=1S/C9H12N6O2S/c1-3-11-7-6(15(16)17)8(12-5-4-10)14-9(13-7)18-2/h3,5H2,1-2H3,(H2,11,12,13,14)