methyl (2S)-2-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethylamino]-2-(4-hydroxyphenyl)ethanoate

Systemtic Name: methyl (2S)-2-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethylamino]-2-(4-hydroxyphenyl)ethanoate Openeye Name: methyl (2S)-2-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethylamino]-2-(4-hydroxyphenyl)acetate CAS Name: (2S)-2-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethylamino]-2-(4-hydroxyphenyl)acetic acid methyl ester IUPAC Name: methyl (2S)-2-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethylamino]-2-(4-hydroxyphenyl)acetate Traditional Name: (2S)-2-[2-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)ethylamino]-2-(4-hydroxyphenyl)acetic acid methyl ester Formula: C20H26N6O5 MolecularWeight: 430.45764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCNC(C3=CC=C(C=C3)O)C(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCN[C@@H](C3=CC=C(C=C3)O)C(=O)OC

InChI

InChI=1S/C20H26N6O5/c1-3-4-11-31-19-24-16(21)15-17(25-19)26(20(29)23-15)10-9-22-14(18(28)30-2)12-5-7-13(27)8-6-12/h5-8,14,22,27H,3-4,9-11H2,1-2H3,(H,23,29)(H2,21,24,25)/t14-/m0/s1