2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2,5-diethoxy-4-nitro-phenyl)ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2,5-diethoxy-4-nitro-phenyl)ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,5-diethoxy-4-nitro-phenyl)acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-(2,5-diethoxy-4-nitrophenyl)acetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,5-diethoxy-4-nitrophenyl)acetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(2,5-diethoxy-4-nitro-phenyl)acetamide Formula: C16H20N6O5S MolecularWeight: 408.4322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)CSC2=NC(=CC(=N2)N)N)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)CSC2=NC(=CC(=N2)N)N)OCC)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O5S/c1-3-26-11-6-10(22(24)25)12(27-4-2)5-9(11)19-15(23)8-28-16-20-13(17)7-14(18)21-16/h5-7H,3-4,8H2,1-2H3,(H,19,23)(H4,17,18,20,21)