3-[2-azanyl-4-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)amino]-6-(2-oxidanylideneethenoxy)pyrimidin-5-yl]-N,N-diethyl-4-methoxy-benzenesulfonamide

Systemtic Name: 3-[2-azanyl-4-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)amino]-6-(2-oxidanylideneethenoxy)pyrimidin-5-yl]-N,N-diethyl-4-methoxy-benzenesulfonamide Openeye Name: 3-[2-amino-4-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]-6-(2-oxovinyloxy)pyrimidin-5-yl]-N,N-diethyl-4-methoxy-benzenesulfonamide CAS Name: 3-[2-amino-4-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]-6-(2-oxoethenoxy)-5-pyrimidinyl]-N,N-diethyl-4-methoxybenzenesulfonamide IUPAC Name: 3-[2-amino-4-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]-6-(2-oxoethenoxy)pyrimidin-5-yl]-N,N-diethyl-4-methoxybenzenesulfonamide Traditional Name: 3-[2-amino-4-[(3-keto-4H-1,4-benzoxazin-6-yl)amino]-6-(2-ketovinyloxy)pyrimidin-5-yl]-N,N-diethyl-4-methoxy-benzenesulfonamide Formula: C25H26N6O7S MolecularWeight: 554.57494

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)C2=C(N=C(N=C2OC=C=O)N)NC3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)C2=C(N=C(N=C2OC=C=O)N)NC3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C25H26N6O7S/c1-4-31(5-2)39(34,35)16-7-9-19(36-3)17(13-16)22-23(29-25(26)30-24(22)37-11-10-32)27-15-6-8-20-18(12-15)28-21(33)14-38-20/h6-9,11-13H,4-5,14H2,1-3H3,(H,28,33)(H3,26,27,29,30)