N-[4-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoyl]phenyl]methanesulfonamide Openeye Name: N-[4-[2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylacetyl]phenyl]methanesulfonamide CAS Name: N-[4-[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]phenyl]methanesulfonamide Traditional Name: N-[4-[2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetyl]phenyl]methanesulfonamide Formula: C14H13N5O3S2 MolecularWeight: 363.41472

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C14H13N5O3S2/c1-24(21,22)19-11-4-2-9(3-5-11)12(20)8-23-14-17-7-10(6-15)13(16)18-14/h2-5,7,19H,8H2,1H3,(H2,16,17,18)