2-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-6-(phenylmethylsulfanyl)pyrimidin-4-yl]sulfanylethanamide

Systemtic Name: 2-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-5-cyano-6-(phenylmethylsulfanyl)pyrimidin-4-yl]sulfanylethanamide Openeye Name: 2-[2-(2-amino-2-oxo-ethyl)sulfanyl-6-benzylsulfanyl-5-cyano-pyrimidin-4-yl]sulfanylacetamide CAS Name: 2-[[2-[(2-amino-2-oxoethyl)thio]-5-cyano-6-(phenylmethylthio)-4-pyrimidinyl]thio]acetamide IUPAC Name: 2-[2-(2-amino-2-oxoethyl)sulfanyl-6-benzylsulfanyl-5-cyanopyrimidin-4-yl]sulfanylacetamide Traditional Name: 2-[[2-[(2-amino-2-keto-ethyl)thio]-6-(benzylthio)-5-cyano-pyrimidin-4-yl]thio]acetamide Formula: C16H15N5O2S3 MolecularWeight: 405.5176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O2S3/c17-6-11-14(24-7-10-4-2-1-3-5-10)20-16(26-9-13(19)23)21-15(11)25-8-12(18)22/h1-5H,7-9H2,(H2,18,22)(H2,19,23)