[9-[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]-8,10-bis(oxidanylidene)heptadecan-9-yl] octanoate

Systemtic Name: [9-[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]-8,10-bis(oxidanylidene)heptadecan-9-yl] octanoate Openeye Name: [1-[5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]-1-octanoyl-2-oxo-nonyl] octanoate CAS Name: octanoic acid [9-[5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-2-oxolanyl]-8,10-dioxoheptadecan-9-yl] ester IUPAC Name: [9-[5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]-8,10-dioxoheptadecan-9-yl] octanoate Traditional Name: caprylic acid [1-[5-(2-amino-6-keto-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]-1-caprylyl-2-keto-nonyl] ester Formula: C34H55N5O7 MolecularWeight: 645.8298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C(C1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)O)(C(=O)CCCCCCC)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCC(=O)C(C1C(CC(O1)N2C=NC3=C2NC(=NC3=O)N)O)(C(=O)CCCCCCC)OC(=O)CCCCCCC

InChI

InChI=1S/C34H55N5O7/c1-4-7-10-13-16-19-25(41)34(26(42)20-17-14-11-8-5-2,46-28(43)21-18-15-12-9-6-3)30-24(40)22-27(45-30)39-23-36-29-31(39)37-33(35)38-32(29)44/h23-24,27,30,40H,4-22H2,1-3H3,(H3,35,37,38,44)