5-[[(5-benzamido-6-oxidanylidene-1H-pyrimidin-2-yl)amino]methyl]thiophene-2-sulfonyl chloride

Systemtic Name: 5-[[(5-benzamido-6-oxidanylidene-1H-pyrimidin-2-yl)amino]methyl]thiophene-2-sulfonyl chloride Openeye Name: 5-[[(5-benzamido-6-oxo-1H-pyrimidin-2-yl)amino]methyl]thiophene-2-sulfonyl chloride CAS Name: 5-[[(5-benzamido-6-oxo-1H-pyrimidin-2-yl)amino]methyl]-2-thiophenesulfonyl chloride IUPAC Name: 5-[[(5-benzamido-6-oxo-1H-pyrimidin-2-yl)amino]methyl]thiophene-2-sulfonyl chloride Traditional Name: 5-[[(5-benzamido-6-keto-1H-pyrimidin-2-yl)amino]methyl]thiophene-2-sulfonyl chloride Formula: C16H13ClN4O4S2 MolecularWeight: 424.88182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CN=C(NC2=O)NCC3=CC=C(S3)S(=O)(=O)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CN=C(NC2=O)NCC3=CC=C(S3)S(=O)(=O)Cl

InChI

InChI=1S/C16H13ClN4O4S2/c17-27(24,25)13-7-6-11(26-13)8-18-16-19-9-12(15(23)21-16)20-14(22)10-4-2-1-3-5-10/h1-7,9H,8H2,(H,20,22)(H2,18,19,21,23)