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

Systemtic Name: ethyl 2-ethanoyl-5-phenyl-6-(7H-purin-6-yl)-1,3-dihydroindene-2-carboxylate Openeye Name: ethyl 2-acetyl-5-phenyl-6-(7H-purin-6-yl)indane-2-carboxylate CAS Name: 2-acetyl-5-phenyl-6-(7H-purin-6-yl)-1,3-dihydroindene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetyl-5-phenyl-6-(7H-purin-6-yl)-1,3-dihydroindene-2-carboxylate Traditional Name: 2-acetyl-5-phenyl-6-(7H-purin-6-yl)indane-2-carboxylic acid ethyl ester Formula: C25H22N4O3 MolecularWeight: 426.46718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC2=C(C1)C=C(C(=C2)C3=CC=CC=C3)C4=C5C(=NC=N4)N=CN5)C(=O)C

Isomeric SMILES

CCOC(=O)C1(CC2=C(C1)C=C(C(=C2)C3=CC=CC=C3)C4=C5C(=NC=N4)N=CN5)C(=O)C

InChI

InChI=1S/C25H22N4O3/c1-3-32-24(31)25(15(2)30)11-17-9-19(16-7-5-4-6-8-16)20(10-18(17)12-25)21-22-23(28-13-26-21)29-14-27-22/h4-10,13-14H,3,11-12H2,1-2H3,(H,26,27,28,29)