octadecyl 3-(6-aminopurin-9-yl)propanoate

Systemtic Name: octadecyl 3-(6-aminopurin-9-yl)propanoate Openeye Name: octadecyl 3-(6-aminopurin-9-yl)propanoate CAS Name: 3-(6-aminopurin-9-yl)propanoic acid octadecyl ester IUPAC Name: octadecyl 3-(6-aminopurin-9-yl)propanoate Traditional Name: 3-adenin-9-ylpropionic acid stearyl ester Formula: C26H45N5O2 MolecularWeight: 459.6678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CCN1C=NC2=C1N=CN=C2N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCN1C=NC2=C1N=CN=C2N

InChI

InChI=1S/C26H45N5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-33-23(32)18-19-31-22-30-24-25(27)28-21-29-26(24)31/h21-22H,2-20H2,1H3,(H2,27,28,29)