2-(2-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanyl-N-(3-butoxyphenyl)ethanamide

Systemtic Name: 2-(2-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanyl-N-(3-butoxyphenyl)ethanamide Openeye Name: 2-(2-amino-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanyl-N-(3-butoxyphenyl)acetamide CAS Name: 2-[[2-amino-5-cyano-6-(methylthio)-4-pyrimidinyl]thio]-N-(3-butoxyphenyl)acetamide IUPAC Name: 2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanyl-N-(3-butoxyphenyl)acetamide Traditional Name: 2-[[2-amino-5-cyano-6-(methylthio)pyrimidin-4-yl]thio]-N-(3-butoxyphenyl)acetamide Formula: C18H21N5O2S2 MolecularWeight: 403.52164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)NC(=O)CSC2=NC(=NC(=C2C#N)SC)N

Isomeric SMILES

CCCCOC1=CC=CC(=C1)NC(=O)CSC2=NC(=NC(=C2C#N)SC)N

InChI

InChI=1S/C18H21N5O2S2/c1-3-4-8-25-13-7-5-6-12(9-13)21-15(24)11-27-17-14(10-19)16(26-2)22-18(20)23-17/h5-7,9H,3-4,8,11H2,1-2H3,(H,21,24)(H2,20,22,23)