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

Systemtic Name: (6-methoxy-8-propyl-purin-7-yl)methyl 2-phenylbenzoate Openeye Name: (6-methoxy-8-propyl-purin-7-yl)methyl 2-phenylbenzoate CAS Name: 2-phenylbenzoic acid (6-methoxy-8-propyl-7-purinyl)methyl ester IUPAC Name: (6-methoxy-8-propylpurin-7-yl)methyl 2-phenylbenzoate Traditional Name: 2-phenylbenzoic acid (6-methoxy-8-propyl-purin-7-yl)methyl ester Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1COC(=O)C3=CC=CC=C3C4=CC=CC=C4)C(=NC=N2)OC

Isomeric SMILES

CCCC1=NC2=C(N1COC(=O)C3=CC=CC=C3C4=CC=CC=C4)C(=NC=N2)OC

InChI

InChI=1S/C23H22N4O3/c1-3-9-19-26-21-20(22(29-2)25-14-24-21)27(19)15-30-23(28)18-13-8-7-12-17(18)16-10-5-4-6-11-16/h4-8,10-14H,3,9,15H2,1-2H3