diethyl 5-butyl-6-(7H-purin-6-yl)-1,3-dihydroindene-2,2-dicarboxylate

Systemtic Name: diethyl 5-butyl-6-(7H-purin-6-yl)-1,3-dihydroindene-2,2-dicarboxylate Openeye Name: diethyl 5-butyl-6-(7H-purin-6-yl)indane-2,2-dicarboxylate CAS Name: 5-butyl-6-(7H-purin-6-yl)-1,3-dihydroindene-2,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-butyl-6-(7H-purin-6-yl)-1,3-dihydroindene-2,2-dicarboxylate Traditional Name: 5-butyl-6-(7H-purin-6-yl)indane-2,2-dicarboxylic acid diethyl ester Formula: C24H28N4O4 MolecularWeight: 436.50352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(CC(C2)(C(=O)OCC)C(=O)OCC)C=C1C3=C4C(=NC=N3)N=CN4

Isomeric SMILES

CCCCC1=CC2=C(CC(C2)(C(=O)OCC)C(=O)OCC)C=C1C3=C4C(=NC=N3)N=CN4

InChI

InChI=1S/C24H28N4O4/c1-4-7-8-15-9-16-11-24(22(29)31-5-2,23(30)32-6-3)12-17(16)10-18(15)19-20-21(27-13-25-19)28-14-26-20/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,25,26,27,28)