[3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)methyl]-4-oxidanyl-butyl] decanoate

Systemtic Name: [3-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)methyl]-4-oxidanyl-butyl] decanoate Openeye Name: [3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methyl]-4-hydroxy-butyl] decanoate CAS Name: decanoic acid [3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methyl]-4-hydroxybutyl] ester IUPAC Name: [3-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methyl]-4-hydroxybutyl] decanoate Traditional Name: capric acid [3-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)methyl]-4-hydroxy-butyl] ester Formula: C20H35N5O4 MolecularWeight: 409.523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OCCC(CN1CNC2=C1NC(=NC2=O)N)CO

Isomeric SMILES

CCCCCCCCCC(=O)OCCC(CN1CNC2=C1NC(=NC2=O)N)CO

InChI

InChI=1S/C20H35N5O4/c1-2-3-4-5-6-7-8-9-16(27)29-11-10-15(13-26)12-25-14-22-17-18(25)23-20(21)24-19(17)28/h15,22,26H,2-14H2,1H3,(H3,21,23,24,28)