ethyl 5-butyl-2-ethanoyl-6-(7H-purin-6-yl)-1,3-dihydroindene-2-carboxylate

Systemtic Name: ethyl 5-butyl-2-ethanoyl-6-(7H-purin-6-yl)-1,3-dihydroindene-2-carboxylate Openeye Name: ethyl 2-acetyl-5-butyl-6-(7H-purin-6-yl)indane-2-carboxylate CAS Name: 2-acetyl-5-butyl-6-(7H-purin-6-yl)-1,3-dihydroindene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetyl-5-butyl-6-(7H-purin-6-yl)-1,3-dihydroindene-2-carboxylate Traditional Name: 2-acetyl-5-butyl-6-(7H-purin-6-yl)indane-2-carboxylic acid ethyl ester Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O3/c1-4-6-7-15-8-16-10-23(14(3)28,22(29)30-5-2)11-17(16)9-18(15)19-20-21(26-12-24-19)27-13-25-20/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,24,25,26,27)