6-azanyl-2-butoxy-9-[3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-butoxy-9-[3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]-7H-purin-8-one Openeye Name: 6-amino-2-butoxy-9-[3-[4-[(E)-cinnamyl]piperazin-1-yl]propyl]-7H-purin-8-one CAS Name: 6-amino-2-butoxy-9-[3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]propyl]-7H-purin-8-one IUPAC Name: 6-amino-2-butoxy-9-[3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]-7H-purin-8-one Traditional Name: 6-amino-2-butoxy-9-[3-[4-[(E)-cinnamyl]piperazino]propyl]-7H-purin-8-one Formula: C25H35N7O2 MolecularWeight: 465.5911

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCN3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H35N7O2/c1-2-3-19-34-24-28-22(26)21-23(29-24)32(25(33)27-21)14-8-13-31-17-15-30(16-18-31)12-7-11-20-9-5-4-6-10-20/h4-7,9-11H,2-3,8,12-19H2,1H3,(H,27,33)(H2,26,28,29)/b11-7+