methyl 2-[3-[[2-(3-acetamidopropoxy)-6-azanyl-8-oxidanylidene-7H-purin-9-yl]methyl]phenyl]ethanoate

Systemtic Name: methyl 2-[3-[[2-(3-acetamidopropoxy)-6-azanyl-8-oxidanylidene-7H-purin-9-yl]methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[[2-(3-acetamidopropoxy)-6-amino-8-oxo-7H-purin-9-yl]methyl]phenyl]acetate CAS Name: 2-[3-[[2-(3-acetamidopropoxy)-6-amino-8-oxo-7H-purin-9-yl]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[2-(3-acetamidopropoxy)-6-amino-8-oxo-7H-purin-9-yl]methyl]phenyl]acetate Traditional Name: 2-[3-[[2-(3-acetamidopropoxy)-6-amino-8-keto-7H-purin-9-yl]methyl]phenyl]acetic acid methyl ester Formula: C20H24N6O5 MolecularWeight: 428.44176

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)CC(=O)OC

Isomeric SMILES

CC(=O)NCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)CC(=O)OC

InChI

InChI=1S/C20H24N6O5/c1-12(27)22-7-4-8-31-19-24-17(21)16-18(25-19)26(20(29)23-16)11-14-6-3-5-13(9-14)10-15(28)30-2/h3,5-6,9H,4,7-8,10-11H2,1-2H3,(H,22,27)(H,23,29)(H2,21,24,25)