6-azanyl-2-butoxy-9-[[4-[(3-oxidanylazetidin-1-yl)methyl]phenyl]methyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-butoxy-9-[[4-[(3-oxidanylazetidin-1-yl)methyl]phenyl]methyl]-7H-purin-8-one Openeye Name: 6-amino-2-butoxy-9-[[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]methyl]-7H-purin-8-one CAS Name: 6-amino-2-butoxy-9-[[4-[(3-hydroxy-1-azetidinyl)methyl]phenyl]methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-butoxy-9-[[4-[(3-hydroxyazetidin-1-yl)methyl]phenyl]methyl]-7H-purin-8-one Traditional Name: 6-amino-2-butoxy-9-[4-[(3-hydroxyazetidin-1-yl)methyl]benzyl]-7H-purin-8-one Formula: C20H26N6O3 MolecularWeight: 398.45884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)CN4CC(C4)O

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)CN4CC(C4)O

InChI

InChI=1S/C20H26N6O3/c1-2-3-8-29-19-23-17(21)16-18(24-19)26(20(28)22-16)10-14-6-4-13(5-7-14)9-25-11-15(27)12-25/h4-7,15,27H,2-3,8-12H2,1H3,(H,22,28)(H2,21,23,24)