2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[phenyl(thiophen-2-yl)methyl]ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-[phenyl(thiophen-2-yl)methyl]ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-[phenyl(2-thienyl)methyl]acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-[phenyl(thiophen-2-yl)methyl]acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-[phenyl(thiophen-2-yl)methyl]acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-[phenyl(2-thienyl)methyl]acetamide Formula: C18H15N5OS2 MolecularWeight: 381.4746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C18H15N5OS2/c19-9-13-10-21-18(23-17(13)20)26-11-15(24)22-16(14-7-4-8-25-14)12-5-2-1-3-6-12/h1-8,10,16H,11H2,(H,22,24)(H2,20,21,23)