diethyl 5-phenyl-6-[9-(phenylmethyl)purin-6-yl]-1,3-dihydroindene-2,2-dicarboxylate

Systemtic Name: diethyl 5-phenyl-6-[9-(phenylmethyl)purin-6-yl]-1,3-dihydroindene-2,2-dicarboxylate Openeye Name: diethyl 5-(9-benzylpurin-6-yl)-6-phenyl-indane-2,2-dicarboxylate CAS Name: 5-phenyl-6-[9-(phenylmethyl)-6-purinyl]-1,3-dihydroindene-2,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(9-benzylpurin-6-yl)-6-phenyl-1,3-dihydroindene-2,2-dicarboxylate Traditional Name: 5-(9-benzylpurin-6-yl)-6-phenyl-indane-2,2-dicarboxylic acid diethyl ester Formula: C33H30N4O4 MolecularWeight: 546.6157

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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)OCC

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)OCC

InChI

InChI=1S/C33H30N4O4/c1-3-40-31(38)33(32(39)41-4-2)17-24-15-26(23-13-9-6-10-14-23)27(16-25(24)18-33)28-29-30(35-20-34-28)37(21-36-29)19-22-11-7-5-8-12-22/h5-16,20-21H,3-4,17-19H2,1-2H3