6-azanyl-9-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-7H-purin-8-one

Systemtic Name: 6-azanyl-9-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-7H-purin-8-one Openeye Name: 6-amino-9-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-7H-purin-8-one CAS Name: 6-amino-9-[[3-(1-azetidinylmethyl)phenyl]methyl]-2-butoxy-7H-purin-8-one IUPAC Name: 6-amino-9-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-7H-purin-8-one Traditional Name: 6-amino-9-[3-(azetidin-1-ylmethyl)benzyl]-2-butoxy-7H-purin-8-one Formula: C20H26N6O2 MolecularWeight: 382.45944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC(=CC=C3)CN4CCC4

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC(=CC=C3)CN4CCC4

InChI

InChI=1S/C20H26N6O2/c1-2-3-10-28-19-23-17(21)16-18(24-19)26(20(27)22-16)13-15-7-4-6-14(11-15)12-25-8-5-9-25/h4,6-7,11H,2-3,5,8-10,12-13H2,1H3,(H,22,27)(H2,21,23,24)