butyl 3-[9-(phenylmethyl)purin-6-yl]propanoate

Systemtic Name: butyl 3-[9-(phenylmethyl)purin-6-yl]propanoate Openeye Name: butyl 3-(9-benzylpurin-6-yl)propanoate CAS Name: 3-[9-(phenylmethyl)-6-purinyl]propanoic acid butyl ester IUPAC Name: butyl 3-(9-benzylpurin-6-yl)propanoate Traditional Name: 3-(9-benzylpurin-6-yl)propionic acid butyl ester Formula: C19H22N4O2 MolecularWeight: 338.40358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCC1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)CCC1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3

InChI

InChI=1S/C19H22N4O2/c1-2-3-11-25-17(24)10-9-16-18-19(21-13-20-16)23(14-22-18)12-15-7-5-4-6-8-15/h4-8,13-14H,2-3,9-12H2,1H3