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

Systemtic Name: 2-methylsulfanyl-5-nitro-N4-propan-2-yl-N6-propyl-pyrimidine-4,6-diamine Openeye Name: N4-isopropyl-2-methylsulfanyl-5-nitro-N6-propyl-pyrimidine-4,6-diamine CAS Name: 2-(methylthio)-5-nitro-N4-propan-2-yl-N6-propylpyrimidine-4,6-diamine IUPAC Name: 2-methylsulfanyl-5-nitro-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine Traditional Name: isopropyl-[2-(methylthio)-5-nitro-6-(propylamino)pyrimidin-4-yl]amine Formula: C11H19N5O2S MolecularWeight: 285.36586

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C(=NC(=N1)SC)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCNC1=C(C(=NC(=N1)SC)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C11H19N5O2S/c1-5-6-12-9-8(16(17)18)10(13-7(2)3)15-11(14-9)19-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15)