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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4,5-dimethyl-2-nitro-phenyl)ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4,5-dimethyl-2-nitro-phenyl)acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-(4,5-dimethyl-2-nitrophenyl)acetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(4,5-dimethyl-2-nitrophenyl)acetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(4,5-dimethyl-2-nitro-phenyl)acetamide Formula: C14H16N6O3S MolecularWeight: 348.38024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C14H16N6O3S/c1-7-3-9(10(20(22)23)4-8(7)2)17-13(21)6-24-14-18-11(15)5-12(16)19-14/h3-5H,6H2,1-2H3,(H,17,21)(H4,15,16,18,19)