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

Systemtic Name: 1-[5-butyl-2-ethanoyl-6-[9-(phenylmethyl)purin-6-yl]-1,3-dihydroinden-2-yl]ethanone Openeye Name: 1-[2-acetyl-5-(9-benzylpurin-6-yl)-6-butyl-indan-2-yl]ethanone CAS Name: 1-[2-acetyl-5-butyl-6-[9-(phenylmethyl)-6-purinyl]-1,3-dihydroinden-2-yl]ethanone IUPAC Name: 1-[2-acetyl-5-(9-benzylpurin-6-yl)-6-butyl-1,3-dihydroinden-2-yl]ethanone Traditional Name: 1-[2-acetyl-5-(9-benzylpurin-6-yl)-6-butyl-indan-2-yl]ethanone Formula: C29H30N4O2 MolecularWeight: 466.5741

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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)CC5=CC=CC=C5

Isomeric SMILES

CCCCC1=CC2=C(CC(C2)(C(=O)C)C(=O)C)C=C1C3=C4C(=NC=N3)N(C=N4)CC5=CC=CC=C5

InChI

InChI=1S/C29H30N4O2/c1-4-5-11-22-12-23-14-29(19(2)34,20(3)35)15-24(23)13-25(22)26-27-28(31-17-30-26)33(18-32-27)16-21-9-7-6-8-10-21/h6-10,12-13,17-18H,4-5,11,14-16H2,1-3H3