N-[3-(4-azanyl-7-propan-2-yl-pyrrolo[2,3-d]pyrimidin-5-yl)carbonylphenyl]-4-butoxy-benzenesulfonamide

Systemtic Name: N-[3-(4-azanyl-7-propan-2-yl-pyrrolo[2,3-d]pyrimidin-5-yl)carbonylphenyl]-4-butoxy-benzenesulfonamide Openeye Name: N-[3-(4-amino-7-isopropyl-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-4-butoxy-benzenesulfonamide CAS Name: N-[3-[(4-amino-7-propan-2-yl-5-pyrrolo[2,3-d]pyrimidinyl)-oxomethyl]phenyl]-4-butoxybenzenesulfonamide IUPAC Name: N-[3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-4-butoxybenzenesulfonamide Traditional Name: N-[3-(4-amino-7-isopropyl-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-4-butoxy-benzenesulfonamide Formula: C26H29N5O4S MolecularWeight: 507.60456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)C3=CN(C4=C3C(=NC=N4)N)C(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)C3=CN(C4=C3C(=NC=N4)N)C(C)C

InChI

InChI=1S/C26H29N5O4S/c1-4-5-13-35-20-9-11-21(12-10-20)36(33,34)30-19-8-6-7-18(14-19)24(32)22-15-31(17(2)3)26-23(22)25(27)28-16-29-26/h6-12,14-17,30H,4-5,13H2,1-3H3,(H2,27,28,29)