N6-ethyl-2-methylsulfanyl-5-nitro-N4-prop-2-enyl-pyrimidine-4,6-diamine

Systemtic Name: N6-ethyl-2-methylsulfanyl-5-nitro-N4-prop-2-enyl-pyrimidine-4,6-diamine Openeye Name: N4-allyl-N6-ethyl-2-methylsulfanyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-ethyl-2-(methylthio)-5-nitro-N4-prop-2-enylpyrimidine-4,6-diamine IUPAC Name: 6-N-ethyl-2-methylsulfanyl-5-nitro-4-N-prop-2-enylpyrimidine-4,6-diamine Traditional Name: allyl-[6-(ethylamino)-2-(methylthio)-5-nitro-pyrimidin-4-yl]amine Formula: C10H15N5O2S MolecularWeight: 269.3234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H15N5O2S/c1-4-6-12-9-7(15(16)17)8(11-5-2)13-10(14-9)18-3/h4H,1,5-6H2,2-3H3,(H2,11,12,13,14)