4-[[5-chloranyl-4-[(4-ethyl-3-oxidanylidene-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 4-[[5-chloranyl-4-[(4-ethyl-3-oxidanylidene-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 4-[[5-chloro-4-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 4-[[5-chloro-4-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)amino]-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 4-[[5-chloro-4-[(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 4-[[5-chloro-4-[(4-ethyl-3-keto-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide Formula: C20H19ClN6O4S MolecularWeight: 474.92066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)COC2=C1C=C(C=C2)NC3=NC(=NC=C3Cl)NC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CCN1C(=O)COC2=C1C=C(C=C2)NC3=NC(=NC=C3Cl)NC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C20H19ClN6O4S/c1-2-27-16-9-13(5-8-17(16)31-11-18(27)28)24-19-15(21)10-23-20(26-19)25-12-3-6-14(7-4-12)32(22,29)30/h3-10H,2,11H2,1H3,(H2,22,29,30)(H2,23,24,25,26)