(8-butyl-6-methoxy-purin-7-yl)methyl 2-phenylbenzoate

Systemtic Name: (8-butyl-6-methoxy-purin-7-yl)methyl 2-phenylbenzoate Openeye Name: (8-butyl-6-methoxy-purin-7-yl)methyl 2-phenylbenzoate CAS Name: 2-phenylbenzoic acid (8-butyl-6-methoxy-7-purinyl)methyl ester IUPAC Name: (8-butyl-6-methoxypurin-7-yl)methyl 2-phenylbenzoate Traditional Name: 2-phenylbenzoic acid (8-butyl-6-methoxy-purin-7-yl)methyl ester Formula: C24H24N4O3 MolecularWeight: 416.47236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1COC(=O)C3=CC=CC=C3C4=CC=CC=C4)C(=NC=N2)OC

Isomeric SMILES

CCCCC1=NC2=C(N1COC(=O)C3=CC=CC=C3C4=CC=CC=C4)C(=NC=N2)OC

InChI

InChI=1S/C24H24N4O3/c1-3-4-14-20-27-22-21(23(30-2)26-15-25-22)28(20)16-31-24(29)19-13-9-8-12-18(19)17-10-6-5-7-11-17/h5-13,15H,3-4,14,16H2,1-2H3