5-[5-(6-chloranylpurin-9-yl)pentoxy]-2-(hydroxymethyl)pyran-4-one

Systemtic Name: 5-[5-(6-chloranylpurin-9-yl)pentoxy]-2-(hydroxymethyl)pyran-4-one Openeye Name: 5-[5-(6-chloropurin-9-yl)pentoxy]-2-(hydroxymethyl)pyran-4-one CAS Name: 5-[5-(6-chloro-9-purinyl)pentoxy]-2-(hydroxymethyl)-4-pyranone IUPAC Name: 5-[5-(6-chloropurin-9-yl)pentoxy]-2-(hydroxymethyl)pyran-4-one Traditional Name: 5-[5-(6-chloropurin-9-yl)pentoxy]-2-methylol-pyran-4-one Formula: C16H17ClN4O4 MolecularWeight: 364.78358

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC=C(C1=O)OCCCCCN2C=NC3=C2N=CN=C3Cl)CO

Isomeric SMILES

C1=C(OC=C(C1=O)OCCCCCN2C=NC3=C2N=CN=C3Cl)CO

InChI

InChI=1S/C16H17ClN4O4/c17-15-14-16(19-9-18-15)21(10-20-14)4-2-1-3-5-24-13-8-25-11(7-22)6-12(13)23/h6,8-10,22H,1-5,7H2