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

Systemtic Name: ethyl 2-cyano-5-phenyl-6-[9-(phenylmethyl)purin-6-yl]-1,3-dihydroindene-2-carboxylate Openeye Name: ethyl 5-(9-benzylpurin-6-yl)-2-cyano-6-phenyl-indane-2-carboxylate CAS Name: 2-cyano-5-phenyl-6-[9-(phenylmethyl)-6-purinyl]-1,3-dihydroindene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(9-benzylpurin-6-yl)-2-cyano-6-phenyl-1,3-dihydroindene-2-carboxylate Traditional Name: 5-(9-benzylpurin-6-yl)-2-cyano-6-phenyl-indane-2-carboxylic acid ethyl ester Formula: C31H25N5O2 MolecularWeight: 499.5625

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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#N

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#N

InChI

InChI=1S/C31H25N5O2/c1-2-38-30(37)31(18-32)15-23-13-25(22-11-7-4-8-12-22)26(14-24(23)16-31)27-28-29(34-19-33-27)36(20-35-28)17-21-9-5-3-6-10-21/h3-14,19-20H,2,15-17H2,1H3