2-[4-[[4-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]phenyl]methyl]piperazin-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-[[4-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]phenyl]methyl]piperazin-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-[[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]methyl]piperazin-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]methyl]-1-piperazinyl]-N,N-dimethylacetamide IUPAC Name: 2-[4-[[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]methyl]piperazin-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-[4-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]benzyl]piperazino]-N,N-dimethyl-acetamide Formula: C25H36N8O3 MolecularWeight: 496.60514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)CN4CCN(CC4)CC(=O)N(C)C

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)CN4CCN(CC4)CC(=O)N(C)C

InChI

InChI=1S/C25H36N8O3/c1-4-5-14-36-24-28-22(26)21-23(29-24)33(25(35)27-21)16-19-8-6-18(7-9-19)15-31-10-12-32(13-11-31)17-20(34)30(2)3/h6-9H,4-5,10-17H2,1-3H3,(H,27,35)(H2,26,28,29)