2-[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl]quinolin-8-ol

Systemtic Name: 2-[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl]quinolin-8-ol Openeye Name: 2-[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl]quinolin-8-ol CAS Name: 2-[[[4-(4-azepanyl)-2-pyrimidinyl]amino]-(1-azetidinyl)methyl]-8-quinolinol IUPAC Name: 2-[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl]quinolin-8-ol Traditional Name: 2-[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl]quinolin-8-ol Formula: C23H28N6O MolecularWeight: 404.50802

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCNC1)C2=NC(=NC=C2)NC(C3=NC4=C(C=CC=C4O)C=C3)N5CCC5

Isomeric SMILES

C1CC(CCNC1)C2=NC(=NC=C2)NC(C3=NC4=C(C=CC=C4O)C=C3)N5CCC5

InChI

InChI=1S/C23H28N6O/c30-20-6-1-4-17-7-8-19(26-21(17)20)22(29-14-3-15-29)28-23-25-13-10-18(27-23)16-5-2-11-24-12-9-16/h1,4,6-8,10,13,16,22,24,30H,2-3,5,9,11-12,14-15H2,(H,25,27,28)