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

Systemtic Name: diethyl 5-[9-(oxan-2-yl)purin-6-yl]-6-phenyl-1,3-dihydroindene-2,2-dicarboxylate Openeye Name: diethyl 5-phenyl-6-(9-tetrahydropyran-2-ylpurin-6-yl)indane-2,2-dicarboxylate CAS Name: 5-[9-(2-oxanyl)-6-purinyl]-6-phenyl-1,3-dihydroindene-2,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[9-(oxan-2-yl)purin-6-yl]-6-phenyl-1,3-dihydroindene-2,2-dicarboxylate Traditional Name: 5-phenyl-6-(9-tetrahydropyran-2-ylpurin-6-yl)indane-2,2-dicarboxylic acid diethyl ester Formula: C31H32N4O5 MolecularWeight: 540.60958

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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)C6CCCCO6)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)C6CCCCO6)C(=O)OCC

InChI

InChI=1S/C31H32N4O5/c1-3-38-29(36)31(30(37)39-4-2)16-21-14-23(20-10-6-5-7-11-20)24(15-22(21)17-31)26-27-28(33-18-32-26)35(19-34-27)25-12-8-9-13-40-25/h5-7,10-11,14-15,18-19,25H,3-4,8-9,12-13,16-17H2,1-2H3