(E)-4-(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanyl-N,N-diethyl-pent-2-enamide

Systemtic Name: (E)-4-(4-azanyl-6-chloranyl-pyrimidin-2-yl)sulfanyl-N,N-diethyl-pent-2-enamide Openeye Name: (E)-4-(4-amino-6-chloro-pyrimidin-2-yl)sulfanyl-N,N-diethyl-pent-2-enamide CAS Name: (E)-4-[(4-amino-6-chloro-2-pyrimidinyl)thio]-N,N-diethyl-2-pentenamide IUPAC Name: (E)-4-(4-amino-6-chloropyrimidin-2-yl)sulfanyl-N,N-diethylpent-2-enamide Traditional Name: (E)-4-[(4-amino-6-chloro-pyrimidin-2-yl)thio]-N,N-diethyl-pent-2-enamide Formula: C13H19ClN4OS MolecularWeight: 314.83416

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C=CC(C)SC1=NC(=CC(=N1)Cl)N

Isomeric SMILES

CCN(CC)C(=O)/C=C/C(C)SC1=NC(=CC(=N1)Cl)N

InChI

InChI=1S/C13H19ClN4OS/c1-4-18(5-2)12(19)7-6-9(3)20-13-16-10(14)8-11(15)17-13/h6-9H,4-5H2,1-3H3,(H2,15,16,17)/b7-6+