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

Systemtic Name: ethyl 2-ethanoyl-5-[9-(oxan-2-yl)purin-6-yl]-6-phenyl-1,3-dihydroindene-2-carboxylate Openeye Name: ethyl 2-acetyl-5-phenyl-6-(9-tetrahydropyran-2-ylpurin-6-yl)indane-2-carboxylate CAS Name: 2-acetyl-5-[9-(2-oxanyl)-6-purinyl]-6-phenyl-1,3-dihydroindene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetyl-5-[9-(oxan-2-yl)purin-6-yl]-6-phenyl-1,3-dihydroindene-2-carboxylate Traditional Name: 2-acetyl-5-phenyl-6-(9-tetrahydropyran-2-ylpurin-6-yl)indane-2-carboxylic acid ethyl ester Formula: C30H30N4O4 MolecularWeight: 510.5836

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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)C

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)C

InChI

InChI=1S/C30H30N4O4/c1-3-37-29(36)30(19(2)35)15-21-13-23(20-9-5-4-6-10-20)24(14-22(21)16-30)26-27-28(32-17-31-26)34(18-33-27)25-11-7-8-12-38-25/h4-6,9-10,13-14,17-18,25H,3,7-8,11-12,15-16H2,1-2H3