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

Systemtic Name: methyl 2-[4-[(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)methyl]-6-methyl-pyridin-2-yl]propanoate Openeye Name: methyl 2-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-6-methyl-2-pyridyl]propanoate CAS Name: 2-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-6-methyl-2-pyridinyl]propanoic acid methyl ester IUPAC Name: methyl 2-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]-6-methylpyridin-2-yl]propanoate Traditional Name: 2-[4-[(6-amino-2-butoxy-8-keto-7H-purin-9-yl)methyl]-6-methyl-2-pyridyl]propionic acid methyl ester Formula: C20H26N6O4 MolecularWeight: 414.45824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6O4/c1-5-6-7-30-19-24-16(21)15-17(25-19)26(20(28)23-15)10-13-8-11(2)22-14(9-13)12(3)18(27)29-4/h8-9,12H,5-7,10H2,1-4H3,(H,23,28)(H2,21,24,25)