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

Systemtic Name: 2-[3-[2-[[4-[[6-azanyl-2-(2-methoxyethoxy)-8-oxidanylidene-7H-purin-9-yl]methyl]phenyl]methyl-methyl-amino]ethoxy]phenyl]ethanoic acid Openeye Name: 2-[3-[2-[[4-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]methyl-methyl-amino]ethoxy]phenyl]acetic acid CAS Name: 2-[3-[2-[[4-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]methyl-methylamino]ethoxy]phenyl]acetic acid IUPAC Name: 2-[3-[2-[[4-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]methyl-methylamino]ethoxy]phenyl]acetic acid Traditional Name: 2-[3-[2-[[4-[[6-amino-8-keto-2-(2-methoxyethoxy)-7H-purin-9-yl]methyl]benzyl]-methyl-amino]ethoxy]phenyl]acetic acid Formula: C27H32N6O6 MolecularWeight: 536.57958

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=CC(=C1)CC(=O)O)CC2=CC=C(C=C2)CN3C4=C(C(=NC(=N4)OCCOC)N)NC3=O

Isomeric SMILES

CN(CCOC1=CC=CC(=C1)CC(=O)O)CC2=CC=C(C=C2)CN3C4=C(C(=NC(=N4)OCCOC)N)NC3=O

InChI

InChI=1S/C27H32N6O6/c1-32(10-11-38-21-5-3-4-20(14-21)15-22(34)35)16-18-6-8-19(9-7-18)17-33-25-23(29-27(33)36)24(28)30-26(31-25)39-13-12-37-2/h3-9,14H,10-13,15-17H2,1-2H3,(H,29,36)(H,34,35)(H2,28,30,31)