2-[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl]phenol

Systemtic Name: 2-[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl]phenol Openeye Name: 2-[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl]phenol CAS Name: 2-[[[4-(4-azepanyl)-2-pyrimidinyl]amino]-(1-azetidinyl)methyl]phenol IUPAC Name: 2-[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl]phenol Traditional Name: 2-[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl]phenol Formula: C20H27N5O MolecularWeight: 353.46128

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCNC1)C2=NC(=NC=C2)NC(C3=CC=CC=C3O)N4CCC4

Isomeric SMILES

C1CC(CCNC1)C2=NC(=NC=C2)NC(C3=CC=CC=C3O)N4CCC4

InChI

InChI=1S/C20H27N5O/c26-18-7-2-1-6-16(18)19(25-13-4-14-25)24-20-22-12-9-17(23-20)15-5-3-10-21-11-8-15/h1-2,6-7,9,12,15,19,21,26H,3-5,8,10-11,13-14H2,(H,22,23,24)