butyl 2-[9-(phenylmethyl)purin-6-yl]propanoate

Systemtic Name: butyl 2-[9-(phenylmethyl)purin-6-yl]propanoate Openeye Name: butyl 2-(9-benzylpurin-6-yl)propanoate CAS Name: 2-[9-(phenylmethyl)-6-purinyl]propanoic acid butyl ester IUPAC Name: butyl 2-(9-benzylpurin-6-yl)propanoate Traditional Name: 2-(9-benzylpurin-6-yl)propionic acid butyl ester Formula: C19H22N4O2 MolecularWeight: 338.40358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)C1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C(C)C1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3

InChI

InChI=1S/C19H22N4O2/c1-3-4-10-25-19(24)14(2)16-17-18(21-12-20-16)23(13-22-17)11-15-8-6-5-7-9-15/h5-9,12-14H,3-4,10-11H2,1-2H3