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

Systemtic Name: 4-[4-(ethylamino)-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide Openeye Name: 4-[4-(ethylamino)-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide CAS Name: 4-[4-(ethylamino)-5-phenyl-7-pyrrolo[2,3-d]pyrimidinyl]benzenesulfonamide IUPAC Name: 4-[4-(ethylamino)-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide Traditional Name: 4-[4-(ethylamino)-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC=NC2=C1C(=CN2C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CC=C4

Isomeric SMILES

CCNC1=NC=NC2=C1C(=CN2C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C20H19N5O2S/c1-2-22-19-18-17(14-6-4-3-5-7-14)12-25(20(18)24-13-23-19)15-8-10-16(11-9-15)28(21,26)27/h3-13H,2H2,1H3,(H2,21,26,27)(H,22,23,24)