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

Systemtic Name: methyl 3-[4-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethoxy]phenyl]propanoate Openeye Name: methyl 3-[4-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethoxy]phenyl]propanoate CAS Name: 3-[4-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethoxy]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethoxy]phenyl]propanoate Traditional Name: 3-[4-[2-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)ethoxy]phenyl]propionic acid methyl ester Formula: C21H27N5O5 MolecularWeight: 429.46958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCOC3=CC=C(C=C3)CCC(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCOC3=CC=C(C=C3)CCC(=O)OC

InChI

InChI=1S/C21H27N5O5/c1-3-4-12-31-20-24-18(22)17-19(25-20)26(21(28)23-17)11-13-30-15-8-5-14(6-9-15)7-10-16(27)29-2/h5-6,8-9H,3-4,7,10-13H2,1-2H3,(H,23,28)(H2,22,24,25)