[1-(2-methylpropyl)-2,6-bis(oxidanylidene)-3H-purin-7-yl]methyl octanoate

Systemtic Name: [1-(2-methylpropyl)-2,6-bis(oxidanylidene)-3H-purin-7-yl]methyl octanoate Openeye Name: (1-isobutyl-2,6-dioxo-3H-purin-7-yl)methyl octanoate CAS Name: octanoic acid [1-(2-methylpropyl)-2,6-dioxo-3H-purin-7-yl]methyl ester IUPAC Name: [1-(2-methylpropyl)-2,6-dioxo-3H-purin-7-yl]methyl octanoate Traditional Name: caprylic acid (1-isobutyl-2,6-diketo-3H-purin-7-yl)methyl ester Formula: C18H28N4O4 MolecularWeight: 364.43932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCN1C=NC2=C1C(=O)N(C(=O)N2)CC(C)C

Isomeric SMILES

CCCCCCCC(=O)OCN1C=NC2=C1C(=O)N(C(=O)N2)CC(C)C

InChI

InChI=1S/C18H28N4O4/c1-4-5-6-7-8-9-14(23)26-12-21-11-19-16-15(21)17(24)22(10-13(2)3)18(25)20-16/h11,13H,4-10,12H2,1-3H3,(H,20,25)