N-[3-[[6-(azetidin-1-yl)purin-9-yl]methyl]phenyl]methanamide

Systemtic Name: N-[3-[[6-(azetidin-1-yl)purin-9-yl]methyl]phenyl]methanamide Openeye Name: N-[3-[[6-(azetidin-1-yl)purin-9-yl]methyl]phenyl]formamide CAS Name: N-[3-[[6-(1-azetidinyl)-9-purinyl]methyl]phenyl]formamide IUPAC Name: N-[3-[[6-(azetidin-1-yl)purin-9-yl]methyl]phenyl]formamide Traditional Name: N-[3-[[6-(azetidin-1-yl)purin-9-yl]methyl]phenyl]formamide Formula: C16H16N6O MolecularWeight: 308.33784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1)C2=NC=NC3=C2N=CN3CC4=CC(=CC=C4)NC=O

Isomeric SMILES

C1CN(C1)C2=NC=NC3=C2N=CN3CC4=CC(=CC=C4)NC=O

InChI

InChI=1S/C16H16N6O/c23-11-20-13-4-1-3-12(7-13)8-22-10-19-14-15(21-5-2-6-21)17-9-18-16(14)22/h1,3-4,7,9-11H,2,5-6,8H2,(H,20,23)