2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide Formula: C15H16N6O3S2 MolecularWeight: 392.45594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)CSC2=NC=C(C(=N2)N)C#N)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)CSC2=NC=C(C(=N2)N)C#N)S(=O)(=O)N

InChI

InChI=1S/C15H16N6O3S2/c16-7-11-8-20-15(21-14(11)17)25-9-13(22)19-6-5-10-1-3-12(4-2-10)26(18,23)24/h1-4,8H,5-6,9H2,(H,19,22)(H2,17,20,21)(H2,18,23,24)