4-(4-azanyl-5-phenyl-2-sulfanylidene-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide

Systemtic Name: 4-(4-azanyl-5-phenyl-2-sulfanylidene-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide Openeye Name: 4-(4-amino-5-phenyl-2-thioxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-N-(3-methylisoxazol-5-yl)benzenesulfonamide CAS Name: 4-(4-amino-5-phenyl-2-sulfanylidene-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-N-(3-methyl-5-isoxazolyl)benzenesulfonamide IUPAC Name: 4-(4-amino-5-phenyl-2-sulfanylidene-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide Traditional Name: 4-(4-amino-5-phenyl-2-thioxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-N-(3-methylisoxazol-5-yl)benzenesulfonamide Formula: C22H18N6O3S2 MolecularWeight: 478.54672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C=C(C4=C(NC(=S)N=C43)N)C5=CC=CC=C5

Isomeric SMILES

CC1=NOC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C=C(C4=C(NC(=S)N=C43)N)C5=CC=CC=C5

InChI

InChI=1S/C22H18N6O3S2/c1-13-11-18(31-26-13)27-33(29,30)16-9-7-15(8-10-16)28-12-17(14-5-3-2-4-6-14)19-20(23)24-22(32)25-21(19)28/h2-12,27H,1H3,(H3,23,24,25,32)