3-[6-oxidanylidene-2-(2-propoxyphenyl)-3H-purin-9-yl]nonan-2-yl benzoate

Systemtic Name: 3-[6-oxidanylidene-2-(2-propoxyphenyl)-3H-purin-9-yl]nonan-2-yl benzoate Openeye Name: [1-methyl-2-[6-oxo-2-(2-propoxyphenyl)-3H-purin-9-yl]octyl] benzoate CAS Name: benzoic acid 3-[6-oxo-2-(2-propoxyphenyl)-3H-purin-9-yl]nonan-2-yl ester IUPAC Name: 3-[6-oxo-2-(2-propoxyphenyl)-3H-purin-9-yl]nonan-2-yl benzoate Traditional Name: benzoic acid [2-[6-keto-2-(2-propoxyphenyl)-3H-purin-9-yl]-1-methyl-octyl] ester Formula: C30H36N4O4 MolecularWeight: 516.63124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C)OC(=O)C1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)C4=CC=CC=C4OCCC

Isomeric SMILES

CCCCCCC(C(C)OC(=O)C1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)C4=CC=CC=C4OCCC

InChI

InChI=1S/C30H36N4O4/c1-4-6-7-11-17-24(21(3)38-30(36)22-14-9-8-10-15-22)34-20-31-26-28(34)32-27(33-29(26)35)23-16-12-13-18-25(23)37-19-5-2/h8-10,12-16,18,20-21,24H,4-7,11,17,19H2,1-3H3,(H,32,33,35)