2-azanyl-9-[(E)-[2-(hydroxymethyl)-2-(oxan-2-yloxymethyl)cyclopropylidene]methyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(E)-[2-(hydroxymethyl)-2-(oxan-2-yloxymethyl)cyclopropylidene]methyl]-3H-purin-6-one Openeye Name: 2-amino-9-[(E)-[2-(hydroxymethyl)-2-(tetrahydropyran-2-yloxymethyl)cyclopropylidene]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[(E)-[2-(hydroxymethyl)-2-(2-oxanyloxymethyl)cyclopropylidene]methyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(E)-[2-(hydroxymethyl)-2-(oxan-2-yloxymethyl)cyclopropylidene]methyl]-3H-purin-6-one Traditional Name: 2-amino-9-[(E)-[2-methylol-2-(tetrahydropyran-2-yloxymethyl)cyclopropylidene]methyl]-3H-purin-6-one Formula: C16H21N5O4 MolecularWeight: 347.36904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCC2(CC2=CN3C=NC4=C3NC(=NC4=O)N)CO

Isomeric SMILES

C1CCOC(C1)OCC\2(C/C2=C\N3C=NC4=C3NC(=NC4=O)N)CO

InChI

InChI=1S/C16H21N5O4/c17-15-19-13-12(14(23)20-15)18-9-21(13)6-10-5-16(10,7-22)8-25-11-3-1-2-4-24-11/h6,9,11,22H,1-5,7-8H2,(H3,17,19,20,23)/b10-6+