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

Systemtic Name: methyl 3-[6-azanyl-2-(4-methoxybutoxy)-8-oxidanylidene-7H-purin-9-yl]-3-phenyl-propanoate Openeye Name: methyl 3-[6-amino-2-(4-methoxybutoxy)-8-oxo-7H-purin-9-yl]-3-phenyl-propanoate CAS Name: 3-[6-amino-2-(4-methoxybutoxy)-8-oxo-7H-purin-9-yl]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[6-amino-2-(4-methoxybutoxy)-8-oxo-7H-purin-9-yl]-3-phenylpropanoate Traditional Name: 3-[6-amino-8-keto-2-(4-methoxybutoxy)-7H-purin-9-yl]-3-phenyl-propionic acid methyl ester Formula: C20H25N5O5 MolecularWeight: 415.443

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCOC1=NC2=C(C(=N1)N)NC(=O)N2C(CC(=O)OC)C3=CC=CC=C3

Isomeric SMILES

COCCCCOC1=NC2=C(C(=N1)N)NC(=O)N2C(CC(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H25N5O5/c1-28-10-6-7-11-30-19-23-17(21)16-18(24-19)25(20(27)22-16)14(12-15(26)29-2)13-8-4-3-5-9-13/h3-5,8-9,14H,6-7,10-12H2,1-2H3,(H,22,27)(H2,21,23,24)