6-azanyl-2-butoxy-9-[7-[4-(4-ethanoylphenyl)piperazin-1-yl]heptyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-butoxy-9-[7-[4-(4-ethanoylphenyl)piperazin-1-yl]heptyl]-7H-purin-8-one Openeye Name: 9-[7-[4-(4-acetylphenyl)piperazin-1-yl]heptyl]-6-amino-2-butoxy-7H-purin-8-one CAS Name: 9-[7-[4-(4-acetylphenyl)-1-piperazinyl]heptyl]-6-amino-2-butoxy-7H-purin-8-one IUPAC Name: 9-[7-[4-(4-acetylphenyl)piperazin-1-yl]heptyl]-6-amino-2-butoxy-7H-purin-8-one Traditional Name: 9-[7-[4-(4-acetylphenyl)piperazino]heptyl]-6-amino-2-butoxy-7H-purin-8-one Formula: C28H41N7O3 MolecularWeight: 523.67024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCCCCN3CCN(CC3)C4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCCCCN3CCN(CC3)C4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C28H41N7O3/c1-3-4-20-38-27-31-25(29)24-26(32-27)35(28(37)30-24)15-9-7-5-6-8-14-33-16-18-34(19-17-33)23-12-10-22(11-13-23)21(2)36/h10-13H,3-9,14-20H2,1-2H3,(H,30,37)(H2,29,31,32)