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

Systemtic Name: 1-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl octanoate Openeye Name: 1-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl octanoate CAS Name: octanoic acid 1-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl ester IUPAC Name: 1-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl octanoate Traditional Name: caprylic acid 1-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl ester Formula: C17H26N4O4 MolecularWeight: 350.41274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC(C)N1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCCCCC(=O)OC(C)N1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C17H26N4O4/c1-5-6-7-8-9-10-13(22)25-12(2)21-11-18-15-14(21)16(23)20(4)17(24)19(15)3/h11-12H,5-10H2,1-4H3