5-chloranyl-2-methylsulfanyl-N-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-methylsulfanyl-N-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-methylsulfanyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidine-4-carboxamide CAS Name: 5-chloro-2-(methylthio)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-methylsulfanyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(3-keto-4H-1,4-benzoxazin-6-yl)-2-(methylthio)pyrimidine-4-carboxamide Formula: C14H11ClN4O3S MolecularWeight: 350.78014

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NC2=CC3=C(C=C2)OCC(=O)N3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC2=CC3=C(C=C2)OCC(=O)N3)Cl

InChI

InChI=1S/C14H11ClN4O3S/c1-23-14-16-5-8(15)12(19-14)13(21)17-7-2-3-10-9(4-7)18-11(20)6-22-10/h2-5H,6H2,1H3,(H,17,21)(H,18,20)