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

Systemtic Name: ethyl 5-butyl-2-ethanoyl-6-[9-(phenylmethyl)purin-6-yl]-1,3-dihydroindene-2-carboxylate Openeye Name: ethyl 2-acetyl-5-(9-benzylpurin-6-yl)-6-butyl-indane-2-carboxylate CAS Name: 2-acetyl-5-butyl-6-[9-(phenylmethyl)-6-purinyl]-1,3-dihydroindene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetyl-5-(9-benzylpurin-6-yl)-6-butyl-1,3-dihydroindene-2-carboxylate Traditional Name: 2-acetyl-5-(9-benzylpurin-6-yl)-6-butyl-indane-2-carboxylic acid ethyl ester Formula: C30H32N4O3 MolecularWeight: 496.60008

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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)CC5=CC=CC=C5

Isomeric SMILES

CCCCC1=CC2=C(CC(C2)(C(=O)C)C(=O)OCC)C=C1C3=C4C(=NC=N3)N(C=N4)CC5=CC=CC=C5

InChI

InChI=1S/C30H32N4O3/c1-4-6-12-22-13-23-15-30(20(3)35,29(36)37-5-2)16-24(23)14-25(22)26-27-28(32-18-31-26)34(19-33-27)17-21-10-8-7-9-11-21/h7-11,13-14,18-19H,4-6,12,15-17H2,1-3H3