3-[[4-(7a-propyl-1,7-dihydropyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]phenol

Systemtic Name: 3-[[4-(7a-propyl-1,7-dihydropyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]phenol Openeye Name: 3-[[4-(7a-propyl-1,7-dihydropyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]phenol CAS Name: 3-[[4-(7a-propyl-1,7-dihydropyrrolo[2,3-b]pyridin-3-yl)-2-pyrimidinyl]amino]phenol IUPAC Name: 3-[[4-(7a-propyl-1,7-dihydropyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]phenol Traditional Name: 3-[[4-(7a-propyl-1,7-dihydropyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]phenol Formula: C20H21N5O MolecularWeight: 347.41364

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Descriptors Computed from Structure

Canonical SMILES:

CCCC12C(=CC=CN1)C(=CN2)C3=NC(=NC=C3)NC4=CC(=CC=C4)O

Isomeric SMILES

CCCC12C(=CC=CN1)C(=CN2)C3=NC(=NC=C3)NC4=CC(=CC=C4)O

InChI

InChI=1S/C20H21N5O/c1-2-9-20-17(7-4-10-22-20)16(13-23-20)18-8-11-21-19(25-18)24-14-5-3-6-15(26)12-14/h3-8,10-13,22-23,26H,2,9H2,1H3,(H,21,24,25)