pentadecyl 5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-(hydroxymethyl)pentanoate

Systemtic Name: pentadecyl 5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-(hydroxymethyl)pentanoate Openeye Name: pentadecyl 5-(2-amino-6-oxo-3H-purin-9-yl)-3-(hydroxymethyl)pentanoate CAS Name: 5-(2-amino-6-oxo-3H-purin-9-yl)-3-(hydroxymethyl)pentanoic acid pentadecyl ester IUPAC Name: pentadecyl 5-(2-amino-6-oxo-3H-purin-9-yl)-3-(hydroxymethyl)pentanoate Traditional Name: 5-(2-amino-6-keto-3H-purin-9-yl)-3-methylol-valeric acid pentadecyl ester Formula: C26H45N5O4 MolecularWeight: 491.6666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCOC(=O)CC(CCN1C=NC2=C1NC(=NC2=O)N)CO

Isomeric SMILES

CCCCCCCCCCCCCCCOC(=O)CC(CCN1C=NC2=C1NC(=NC2=O)N)CO

InChI

InChI=1S/C26H45N5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-35-22(33)18-21(19-32)15-16-31-20-28-23-24(31)29-26(27)30-25(23)34/h20-21,32H,2-19H2,1H3,(H3,27,29,30,34)