2-[4-[3-cyano-1-(4-methoxyphenyl)-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-6-yl]phenyl]benzenesulfonamide

Systemtic Name: 2-[4-[3-cyano-1-(4-methoxyphenyl)-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-6-yl]phenyl]benzenesulfonamide Openeye Name: 2-[4-[3-cyano-1-(4-methoxyphenyl)-7-oxo-pyrazolo[4,3-d]pyrimidin-6-yl]phenyl]benzenesulfonamide CAS Name: 2-[4-[3-cyano-1-(4-methoxyphenyl)-7-oxo-6-pyrazolo[4,3-d]pyrimidinyl]phenyl]benzenesulfonamide IUPAC Name: 2-[4-[3-cyano-1-(4-methoxyphenyl)-7-oxopyrazolo[4,3-d]pyrimidin-6-yl]phenyl]benzenesulfonamide Traditional Name: 2-[4-[3-cyano-7-keto-1-(4-methoxyphenyl)pyrazolo[4,3-d]pyrimidin-6-yl]phenyl]benzenesulfonamide Formula: C25H18N6O4S MolecularWeight: 498.51322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=C(C(=N2)C#N)N=CN(C3=O)C4=CC=C(C=C4)C5=CC=CC=C5S(=O)(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=C(C(=N2)C#N)N=CN(C3=O)C4=CC=C(C=C4)C5=CC=CC=C5S(=O)(=O)N

InChI

InChI=1S/C25H18N6O4S/c1-35-19-12-10-18(11-13-19)31-24-23(21(14-26)29-31)28-15-30(25(24)32)17-8-6-16(7-9-17)20-4-2-3-5-22(20)36(27,33)34/h2-13,15H,1H3,(H2,27,33,34)