N-[4-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxy-benzenesulfonamide

Systemtic Name: N-[4-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxy-benzenesulfonamide Openeye Name: N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxy-benzenesulfonamide CAS Name: N-[4-(4-amino-1-pyrazolo[3,4-d]pyrimidinyl)phenyl]-4-methoxybenzenesulfonamide IUPAC Name: N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxybenzenesulfonamide Traditional Name: N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxy-benzenesulfonamide Formula: C18H16N6O3S MolecularWeight: 396.42304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3C4=C(C=N3)C(=NC=N4)N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3C4=C(C=N3)C(=NC=N4)N

InChI

InChI=1S/C18H16N6O3S/c1-27-14-6-8-15(9-7-14)28(25,26)23-12-2-4-13(5-3-12)24-18-16(10-22-24)17(19)20-11-21-18/h2-11,23H,1H3,(H2,19,20,21)