2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-furylmethylcarbamoyl)acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[(2-furanylmethylamino)-oxomethyl]acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(2-furfurylcarbamoyl)acetamide Formula: C13H12N6O3S MolecularWeight: 332.33778

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)NC(=O)CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

C1=COC(=C1)CNC(=O)NC(=O)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C13H12N6O3S/c14-4-8-5-17-13(19-11(8)15)23-7-10(20)18-12(21)16-6-9-2-1-3-22-9/h1-3,5H,6-7H2,(H2,15,17,19)(H2,16,18,20,21)