5-chloranyl-N-[2-(diethylamino)-2-thiophen-3-yl-ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[2-(diethylamino)-2-thiophen-3-yl-ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[2-(diethylamino)-2-(3-thienyl)ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[2-(diethylamino)-2-(3-thiophenyl)ethyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[2-(diethylamino)-2-(3-thienyl)ethyl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C16H21ClN4OS2 MolecularWeight: 384.94714

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CNC(=O)C1=NC(=NC=C1Cl)SC)C2=CSC=C2

Isomeric SMILES

CCN(CC)C(CNC(=O)C1=NC(=NC=C1Cl)SC)C2=CSC=C2

InChI

InChI=1S/C16H21ClN4OS2/c1-4-21(5-2)13(11-6-7-24-10-11)9-18-15(22)14-12(17)8-19-16(20-14)23-3/h6-8,10,13H,4-5,9H2,1-3H3,(H,18,22)