methyl 2-[3-[4-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]phenyl]propyl-methyl-amino]ethanoate

Systemtic Name: methyl 2-[3-[4-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]phenyl]propyl-methyl-amino]ethanoate Openeye Name: methyl 2-[3-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]propyl-methyl-amino]acetate CAS Name: 2-[3-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]propyl-methylamino]acetic acid methyl ester IUPAC Name: methyl 2-[3-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]propyl-methylamino]acetate Traditional Name: 2-[3-[4-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]phenyl]propyl-methyl-amino]acetic acid methyl ester Formula: C23H32N6O4 MolecularWeight: 456.53798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)CCCN(C)CC(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)CCCN(C)CC(=O)OC

InChI

InChI=1S/C23H32N6O4/c1-4-5-13-33-22-26-20(24)19-21(27-22)29(23(31)25-19)14-17-10-8-16(9-11-17)7-6-12-28(2)15-18(30)32-3/h8-11H,4-7,12-15H2,1-3H3,(H,25,31)(H2,24,26,27)