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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2-methoxy-5-nitro-phenyl)ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methoxy-5-nitro-phenyl)acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-(2-methoxy-5-nitrophenyl)acetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methoxy-5-nitrophenyl)acetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(2-methoxy-5-nitro-phenyl)acetamide Formula: C13H14N6O4S MolecularWeight: 350.35306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C13H14N6O4S/c1-23-9-3-2-7(19(21)22)4-8(9)16-12(20)6-24-13-17-10(14)5-11(15)18-13/h2-5H,6H2,1H3,(H,16,20)(H4,14,15,17,18)