[3-(6-chloranylpurin-9-yl)cyclobuten-1-yl]methyl ethanoate

Systemtic Name: [3-(6-chloranylpurin-9-yl)cyclobuten-1-yl]methyl ethanoate Openeye Name: [3-(6-chloropurin-9-yl)cyclobuten-1-yl]methyl acetate CAS Name: acetic acid [3-(6-chloro-9-purinyl)-1-cyclobutenyl]methyl ester IUPAC Name: [3-(6-chloropurin-9-yl)cyclobuten-1-yl]methyl acetate Traditional Name: acetic acid [3-(6-chloropurin-9-yl)cyclobuten-1-yl]methyl ester Formula: C12H11ClN4O2 MolecularWeight: 278.69434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC(C1)N2C=NC3=C2N=CN=C3Cl

Isomeric SMILES

CC(=O)OCC1=CC(C1)N2C=NC3=C2N=CN=C3Cl

InChI

InChI=1S/C12H11ClN4O2/c1-7(18)19-4-8-2-9(3-8)17-6-16-10-11(13)14-5-15-12(10)17/h2,5-6,9H,3-4H2,1H3