5-[(3-cyclopentyl-7-oxidanylidene-4H-[1,2]oxazolo[4,5-d]pyrimidin-5-yl)methyl]-2-methoxy-N-pyrimidin-4-yl-benzenesulfonamide

Systemtic Name: 5-[(3-cyclopentyl-7-oxidanylidene-4H-[1,2]oxazolo[4,5-d]pyrimidin-5-yl)methyl]-2-methoxy-N-pyrimidin-4-yl-benzenesulfonamide Openeye Name: 5-[(3-cyclopentyl-7-oxo-4H-isoxazolo[4,5-d]pyrimidin-5-yl)methyl]-2-methoxy-N-pyrimidin-4-yl-benzenesulfonamide CAS Name: 5-[(3-cyclopentyl-7-oxo-4H-isoxazolo[4,5-d]pyrimidin-5-yl)methyl]-2-methoxy-N-(4-pyrimidinyl)benzenesulfonamide IUPAC Name: 5-[(3-cyclopentyl-7-oxo-4H-[1,2]oxazolo[4,5-d]pyrimidin-5-yl)methyl]-2-methoxy-N-pyrimidin-4-ylbenzenesulfonamide Traditional Name: 5-[(3-cyclopentyl-7-keto-4H-isoxazolo[4,5-d]pyrimidin-5-yl)methyl]-2-methoxy-N-(4-pyrimidyl)benzenesulfonamide Formula: C22H22N6O5S MolecularWeight: 482.51228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NC(=O)C3=C(N2)C(=NO3)C4CCCC4)S(=O)(=O)NC5=NC=NC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NC(=O)C3=C(N2)C(=NO3)C4CCCC4)S(=O)(=O)NC5=NC=NC=C5

InChI

InChI=1S/C22H22N6O5S/c1-32-15-7-6-13(10-16(15)34(30,31)28-17-8-9-23-12-24-17)11-18-25-20-19(14-4-2-3-5-14)27-33-21(20)22(29)26-18/h6-10,12,14H,2-5,11H2,1H3,(H,23,24,28)(H,25,26,29)