2-(2-azanyl-4-oxidanyl-6-oxidanylidene-1,3,5,9-tetrahydropurin-2-yl)pentyl hexadecanoate

Systemtic Name: 2-(2-azanyl-4-oxidanyl-6-oxidanylidene-1,3,5,9-tetrahydropurin-2-yl)pentyl hexadecanoate Openeye Name: 2-(2-amino-4-hydroxy-6-oxo-1,3,5,9-tetrahydropurin-2-yl)pentyl hexadecanoate CAS Name: hexadecanoic acid 2-(2-amino-4-hydroxy-6-oxo-1,3,5,9-tetrahydropurin-2-yl)pentyl ester IUPAC Name: 2-(2-amino-4-hydroxy-6-oxo-1,3,5,9-tetrahydropurin-2-yl)pentyl hexadecanoate Traditional Name: palmitic acid 2-(2-amino-4-hydroxy-6-keto-1,3,5,9-tetrahydropurin-2-yl)pentyl ester Formula: C26H49N5O4 MolecularWeight: 495.69836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(CCC)C1(NC(=O)C2C(N1)(NC=N2)O)N

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(CCC)C1(NC(=O)C2C(N1)(NC=N2)O)N

InChI

InChI=1S/C26H49N5O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-22(32)35-19-21(17-4-2)25(27)30-24(33)23-26(34,31-25)29-20-28-23/h20-21,23,31,34H,3-19,27H2,1-2H3,(H,28,29)(H,30,33)