3-[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl]-2-methoxy-phenol

Systemtic Name: 3-[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl]-2-methoxy-phenol Openeye Name: 3-[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl]-2-methoxy-phenol CAS Name: 3-[[[4-(4-azepanyl)-2-pyrimidinyl]amino]-(1-azetidinyl)methyl]-2-methoxyphenol IUPAC Name: 3-[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl]-2-methoxyphenol Traditional Name: 3-[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl]-2-methoxy-phenol Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=C1O)C(NC2=NC=CC(=N2)C3CCCNCC3)N4CCC4

Isomeric SMILES

COC1=C(C=CC=C1O)C(NC2=NC=CC(=N2)C3CCCNCC3)N4CCC4

InChI

InChI=1S/C21H29N5O2/c1-28-19-16(6-2-7-18(19)27)20(26-13-4-14-26)25-21-23-12-9-17(24-21)15-5-3-10-22-11-8-15/h2,6-7,9,12,15,20,22,27H,3-5,8,10-11,13-14H2,1H3,(H,23,24,25)