4-[4-(2-hydroxyethylamino)-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide

Systemtic Name: 4-[4-(2-hydroxyethylamino)-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide Openeye Name: 4-[4-(2-hydroxyethylamino)-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide CAS Name: 4-[4-(2-hydroxyethylamino)-5-phenyl-7-pyrrolo[2,3-d]pyrimidinyl]benzenesulfonamide IUPAC Name: 4-[4-(2-hydroxyethylamino)-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide Traditional Name: 4-[4-(2-hydroxyethylamino)-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN(C3=C2C(=NC=N3)NCCO)C4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CN(C3=C2C(=NC=N3)NCCO)C4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C20H19N5O3S/c21-29(27,28)16-8-6-15(7-9-16)25-12-17(14-4-2-1-3-5-14)18-19(22-10-11-26)23-13-24-20(18)25/h1-9,12-13,26H,10-11H2,(H2,21,27,28)(H,22,23,24)