3-[(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylmethyl]benzamide

Systemtic Name: 3-[(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylmethyl]benzamide Openeye Name: 3-[(4-amino-5-cyano-pyrimidin-2-yl)sulfanylmethyl]benzamide CAS Name: 3-[[(4-amino-5-cyano-2-pyrimidinyl)thio]methyl]benzamide IUPAC Name: 3-[(4-amino-5-cyanopyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: 3-[[(4-amino-5-cyano-pyrimidin-2-yl)thio]methyl]benzamide Formula: C13H11N5OS MolecularWeight: 285.32434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N5OS/c14-5-10-6-17-13(18-11(10)15)20-7-8-2-1-3-9(4-8)12(16)19/h1-4,6H,7H2,(H2,16,19)(H2,15,17,18)