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

Systemtic Name: 1-[1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-7-yl]ethyl octanoate Openeye Name: 1-(3-isobutyl-1-methyl-2,6-dioxo-purin-7-yl)ethyl octanoate CAS Name: octanoic acid 1-[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7-purinyl]ethyl ester IUPAC Name: 1-[1-methyl-3-(2-methylpropyl)-2,6-dioxopurin-7-yl]ethyl octanoate Traditional Name: caprylic acid 1-(3-isobutyl-2,6-diketo-1-methyl-purin-7-yl)ethyl ester Formula: C20H32N4O4 MolecularWeight: 392.49248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC(C)N1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)C

Isomeric SMILES

CCCCCCCC(=O)OC(C)N1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)C

InChI

InChI=1S/C20H32N4O4/c1-6-7-8-9-10-11-16(25)28-15(4)24-13-21-18-17(24)19(26)22(5)20(27)23(18)12-14(2)3/h13-15H,6-12H2,1-5H3