N-[3-[4-(1-phenylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide

Systemtic Name: N-[3-[4-(1-phenylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide Openeye Name: N-[3-[4-(1-phenylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide CAS Name: N-[3-[4-(1-phenylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide IUPAC Name: N-[3-[4-(1-phenylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide Traditional Name: N-[3-[4-(1-phenylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=NC3=C2C=C(N3)C4=CC(=CC=C4)NS(=O)(=O)C

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=NC3=C2C=C(N3)C4=CC(=CC=C4)NS(=O)(=O)C

InChI

InChI=1S/C21H21N5O2S/c1-14(15-7-4-3-5-8-15)24-20-18-12-19(25-21(18)23-13-22-20)16-9-6-10-17(11-16)26-29(2,27)28/h3-14,26H,1-2H3,(H2,22,23,24,25)