N-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)methyl]-7-(thiophen-2-ylsulfonylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide

Systemtic Name: N-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)methyl]-7-(thiophen-2-ylsulfonylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide Openeye Name: N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-(2-thienylsulfonylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide CAS Name: N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-(thiophen-2-ylsulfonylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide IUPAC Name: N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-7-(thiophen-2-ylsulfonylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide Traditional Name: N-[(3-keto-4H-1,4-benzoxazin-6-yl)methyl]-7-(2-thienylsulfonylamino)-5H-pyrrolo[3,2-d]pyrimidine-4-carboxamide Formula: C20H16N6O5S2 MolecularWeight: 484.50824

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)CNC(=O)C3=NC=NC4=C3NC=C4NS(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)CNC(=O)C3=NC=NC4=C3NC=C4NS(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C20H16N6O5S2/c27-15-9-31-14-4-3-11(6-12(14)25-15)7-22-20(28)19-18-17(23-10-24-19)13(8-21-18)26-33(29,30)16-2-1-5-32-16/h1-6,8,10,21,26H,7,9H2,(H,22,28)(H,25,27)