N-[4-(4-azanyl-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-oxidanyl-phenyl]naphthalene-2-sulfonamide

Systemtic Name: N-[4-(4-azanyl-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-oxidanyl-phenyl]naphthalene-2-sulfonamide Openeye Name: N-[4-(4-amino-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-hydroxy-phenyl]naphthalene-2-sulfonamide CAS Name: N-[4-(4-amino-7-tert-butyl-5-pyrrolo[2,3-d]pyrimidinyl)-2-hydroxyphenyl]-2-naphthalenesulfonamide IUPAC Name: N-[4-(4-amino-7-tert-butylpyrrolo[2,3-d]pyrimidin-5-yl)-2-hydroxyphenyl]naphthalene-2-sulfonamide Traditional Name: N-[4-(4-amino-7-tert-butyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-hydroxy-phenyl]naphthalene-2-sulfonamide Formula: C26H25N5O3S MolecularWeight: 487.5734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C2=C1N=CN=C2N)C3=CC(=C(C=C3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4)O

Isomeric SMILES

CC(C)(C)N1C=C(C2=C1N=CN=C2N)C3=CC(=C(C=C3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4)O

InChI

InChI=1S/C26H25N5O3S/c1-26(2,3)31-14-20(23-24(27)28-15-29-25(23)31)18-9-11-21(22(32)13-18)30-35(33,34)19-10-8-16-6-4-5-7-17(16)12-19/h4-15,30,32H,1-3H3,(H2,27,28,29)