1-[5-butyl-2-ethanoyl-6-[9-(oxan-2-yl)purin-6-yl]-1,3-dihydroinden-2-yl]ethanone

Systemtic Name: 1-[5-butyl-2-ethanoyl-6-[9-(oxan-2-yl)purin-6-yl]-1,3-dihydroinden-2-yl]ethanone Openeye Name: 1-[2-acetyl-5-butyl-6-(9-tetrahydropyran-2-ylpurin-6-yl)indan-2-yl]ethanone CAS Name: 1-[2-acetyl-5-butyl-6-[9-(2-oxanyl)-6-purinyl]-1,3-dihydroinden-2-yl]ethanone IUPAC Name: 1-[2-acetyl-5-butyl-6-[9-(oxan-2-yl)purin-6-yl]-1,3-dihydroinden-2-yl]ethanone Traditional Name: 1-[2-acetyl-5-butyl-6-(9-tetrahydropyran-2-ylpurin-6-yl)indan-2-yl]ethanone Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O3/c1-4-5-8-19-11-20-13-27(17(2)32,18(3)33)14-21(20)12-22(19)24-25-26(29-15-28-24)31(16-30-25)23-9-6-7-10-34-23/h11-12,15-16,23H,4-10,13-14H2,1-3H3