2-methylsulfanyl-5-nitro-4-pentyl-N6-propan-2-yl-4H-pyrimidine-3,6-diamine

Systemtic Name: 2-methylsulfanyl-5-nitro-4-pentyl-N6-propan-2-yl-4H-pyrimidine-3,6-diamine Openeye Name: N6-isopropyl-2-methylsulfanyl-5-nitro-4-pentyl-4H-pyrimidine-3,6-diamine CAS Name: 2-(methylthio)-5-nitro-4-pentyl-N6-propan-2-yl-4H-pyrimidine-3,6-diamine IUPAC Name: 2-methylsulfanyl-5-nitro-4-pentyl-6-N-propan-2-yl-4H-pyrimidine-3,6-diamine Traditional Name: [3-amino-4-amyl-2-(methylthio)-5-nitro-4H-pyrimidin-6-yl]-isopropyl-amine Formula: C13H25N5O2S MolecularWeight: 315.4349

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(=C(N=C(N1N)SC)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1C(=C(N=C(N1N)SC)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H25N5O2S/c1-5-6-7-8-10-11(18(19)20)12(15-9(2)3)16-13(21-4)17(10)14/h9-10,15H,5-8,14H2,1-4H3