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

Systemtic Name: diethyl 5-butyl-6-[9-(oxan-2-yl)purin-6-yl]-1,3-dihydroindene-2,2-dicarboxylate Openeye Name: diethyl 5-butyl-6-(9-tetrahydropyran-2-ylpurin-6-yl)indane-2,2-dicarboxylate CAS Name: 5-butyl-6-[9-(2-oxanyl)-6-purinyl]-1,3-dihydroindene-2,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-butyl-6-[9-(oxan-2-yl)purin-6-yl]-1,3-dihydroindene-2,2-dicarboxylate Traditional Name: 5-butyl-6-(9-tetrahydropyran-2-ylpurin-6-yl)indane-2,2-dicarboxylic acid diethyl ester Formula: C29H36N4O5 MolecularWeight: 520.61994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36N4O5/c1-4-7-10-19-13-20-15-29(27(34)36-5-2,28(35)37-6-3)16-21(20)14-22(19)24-25-26(31-17-30-24)33(18-32-25)23-11-8-9-12-38-23/h13-14,17-18,23H,4-12,15-16H2,1-3H3