2-[3-(6-aminopurin-9-yl)oxiran-2-yl]ethyl benzoate

Systemtic Name: 2-[3-(6-aminopurin-9-yl)oxiran-2-yl]ethyl benzoate Openeye Name: 2-[3-(6-aminopurin-9-yl)oxiran-2-yl]ethyl benzoate CAS Name: benzoic acid 2-[3-(6-aminopurin-9-yl)-2-oxiranyl]ethyl ester IUPAC Name: 2-[3-(6-aminopurin-9-yl)oxiran-2-yl]ethyl benzoate Traditional Name: benzoic acid 2-(3-adenin-9-yloxiran-2-yl)ethyl ester Formula: C16H15N5O3 MolecularWeight: 325.322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCC2C(O2)N3C=NC4=C3N=CN=C4N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCC2C(O2)N3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C16H15N5O3/c17-13-12-14(19-8-18-13)21(9-20-12)15-11(24-15)6-7-23-16(22)10-4-2-1-3-5-10/h1-5,8-9,11,15H,6-7H2,(H2,17,18,19)