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

Systemtic Name: N-[3-[4-(1-phenylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]ethanamide Openeye Name: N-[3-[4-(1-phenylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]acetamide CAS Name: N-[3-[4-(1-phenylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]acetamide IUPAC Name: N-[3-[4-(1-phenylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]acetamide Traditional Name: N-[3-[4-(1-phenylethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]acetamide Formula: C22H21N5O MolecularWeight: 371.43504

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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)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O/c1-14(16-7-4-3-5-8-16)25-21-19-12-20(27-22(19)24-13-23-21)17-9-6-10-18(11-17)26-15(2)28/h3-14H,1-2H3,(H,26,28)(H2,23,24,25,27)