5-chloranyl-N-[1-(1-methyl-6-oxidanylidene-4-pyrimidin-4-yl-pyrimidin-2-yl)ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[1-(1-methyl-6-oxidanylidene-4-pyrimidin-4-yl-pyrimidin-2-yl)ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[1-(1-methyl-6-oxo-4-pyrimidin-4-yl-pyrimidin-2-yl)ethyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[1-[1-methyl-6-oxo-4-(4-pyrimidinyl)-2-pyrimidinyl]ethyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[1-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)ethyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[1-[6-keto-1-methyl-4-(4-pyrimidyl)pyrimidin-2-yl]ethyl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C17H16ClN7O2S MolecularWeight: 417.87264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=CC(=O)N1C)C2=NC=NC=C2)NC(=O)C3=NC(=NC=C3Cl)SC

Isomeric SMILES

CC(C1=NC(=CC(=O)N1C)C2=NC=NC=C2)NC(=O)C3=NC(=NC=C3Cl)SC

InChI

InChI=1S/C17H16ClN7O2S/c1-9(22-16(27)14-10(18)7-20-17(24-14)28-3)15-23-12(6-13(26)25(15)2)11-4-5-19-8-21-11/h4-9H,1-3H3,(H,22,27)