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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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