ethyl 5-butyl-2-ethanoyl-6-[9-(oxan-2-yl)purin-6-yl]-1,3-dihydroindene-2-carboxylate

Systemtic Name: ethyl 5-butyl-2-ethanoyl-6-[9-(oxan-2-yl)purin-6-yl]-1,3-dihydroindene-2-carboxylate Openeye Name: ethyl 2-acetyl-5-butyl-6-(9-tetrahydropyran-2-ylpurin-6-yl)indane-2-carboxylate CAS Name: 2-acetyl-5-butyl-6-[9-(2-oxanyl)-6-purinyl]-1,3-dihydroindene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetyl-5-butyl-6-[9-(oxan-2-yl)purin-6-yl]-1,3-dihydroindene-2-carboxylate Traditional Name: 2-acetyl-5-butyl-6-(9-tetrahydropyran-2-ylpurin-6-yl)indane-2-carboxylic acid ethyl ester Formula: C28H34N4O4 MolecularWeight: 490.59396

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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(C=N4)C5CCCCO5

Isomeric SMILES

CCCCC1=CC2=C(CC(C2)(C(=O)C)C(=O)OCC)C=C1C3=C4C(=NC=N3)N(C=N4)C5CCCCO5

InChI

InChI=1S/C28H34N4O4/c1-4-6-9-19-12-20-14-28(18(3)33,27(34)35-5-2)15-21(20)13-22(19)24-25-26(30-16-29-24)32(17-31-25)23-10-7-8-11-36-23/h12-13,16-17,23H,4-11,14-15H2,1-3H3