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

Systemtic Name: N-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoyl]-2-phenyl-ethanamide Openeye Name: N-[2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylacetyl]-2-phenyl-acetamide CAS Name: N-[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]-2-phenylacetamide IUPAC Name: N-[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]-2-phenylacetamide Traditional Name: N-[2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetyl]-2-phenyl-acetamide Formula: C15H13N5O2S MolecularWeight: 327.36102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N5O2S/c16-7-11-8-18-15(20-14(11)17)23-9-13(22)19-12(21)6-10-4-2-1-3-5-10/h1-5,8H,6,9H2,(H2,17,18,20)(H,19,21,22)