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

Systemtic Name: ethyl 2-cyano-5-[9-(oxan-2-yl)purin-6-yl]-6-phenyl-1,3-dihydroindene-2-carboxylate Openeye Name: ethyl 2-cyano-5-phenyl-6-(9-tetrahydropyran-2-ylpurin-6-yl)indane-2-carboxylate CAS Name: 2-cyano-5-[9-(2-oxanyl)-6-purinyl]-6-phenyl-1,3-dihydroindene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 2-cyano-5-[9-(oxan-2-yl)purin-6-yl]-6-phenyl-1,3-dihydroindene-2-carboxylate Traditional Name: 2-cyano-5-phenyl-6-(9-tetrahydropyran-2-ylpurin-6-yl)indane-2-carboxylic acid ethyl ester Formula: C29H27N5O3 MolecularWeight: 493.55638

Click to see the large picture

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#N

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#N

InChI

InChI=1S/C29H27N5O3/c1-2-36-28(35)29(16-30)14-20-12-22(19-8-4-3-5-9-19)23(13-21(20)15-29)25-26-27(32-17-31-25)34(18-33-26)24-10-6-7-11-37-24/h3-5,8-9,12-13,17-18,24H,2,6-7,10-11,14-15H2,1H3