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

Systemtic Name: 2-[3-[4-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]phenyl]propyl-methyl-amino]ethanoic acid Openeye Name: 2-[3-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]propyl-methyl-amino]acetic acid CAS Name: 2-[3-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]propyl-methylamino]acetic acid IUPAC Name: 2-[3-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]propyl-methylamino]acetic acid Traditional Name: 2-[3-[4-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]phenyl]propyl-methyl-amino]acetic acid Formula: C22H30N6O4 MolecularWeight: 442.5114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6O4/c1-3-4-12-32-21-25-19(23)18-20(26-21)28(22(31)24-18)13-16-9-7-15(8-10-16)6-5-11-27(2)14-17(29)30/h7-10H,3-6,11-14H2,1-2H3,(H,24,31)(H,29,30)(H2,23,25,26)