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

Systemtic Name: 2-(2-azanyl-4-oxidanyl-6-oxidanylidene-1,3,5,9-tetrahydropurin-2-yl)pentyl icosanoate Openeye Name: 2-(2-amino-4-hydroxy-6-oxo-1,3,5,9-tetrahydropurin-2-yl)pentyl icosanoate CAS Name: eicosanoic 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 icosanoate Traditional Name: arachidic acid 2-(2-amino-4-hydroxy-6-keto-1,3,5,9-tetrahydropurin-2-yl)pentyl ester Formula: C30H57N5O4 MolecularWeight: 551.80468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H57N5O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-26(36)39-23-25(21-4-2)29(31)34-28(37)27-30(38,35-29)33-24-32-27/h24-25,27,35,38H,3-23,31H2,1-2H3,(H,32,33)(H,34,37)