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

Systemtic Name: ethyl 2-ethanoyl-5-phenyl-6-[9-(phenylmethyl)purin-6-yl]-1,3-dihydroindene-2-carboxylate Openeye Name: ethyl 2-acetyl-5-(9-benzylpurin-6-yl)-6-phenyl-indane-2-carboxylate CAS Name: 2-acetyl-5-phenyl-6-[9-(phenylmethyl)-6-purinyl]-1,3-dihydroindene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetyl-5-(9-benzylpurin-6-yl)-6-phenyl-1,3-dihydroindene-2-carboxylate Traditional Name: 2-acetyl-5-(9-benzylpurin-6-yl)-6-phenyl-indane-2-carboxylic acid ethyl ester Formula: C32H28N4O3 MolecularWeight: 516.58972

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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(C=N5)CC6=CC=CC=C6)C(=O)C

Isomeric SMILES

CCOC(=O)C1(CC2=C(C1)C=C(C(=C2)C3=CC=CC=C3)C4=C5C(=NC=N4)N(C=N5)CC6=CC=CC=C6)C(=O)C

InChI

InChI=1S/C32H28N4O3/c1-3-39-31(38)32(21(2)37)16-24-14-26(23-12-8-5-9-13-23)27(15-25(24)17-32)28-29-30(34-19-33-28)36(20-35-29)18-22-10-6-4-7-11-22/h4-15,19-20H,3,16-18H2,1-2H3