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

Systemtic Name: 1-[1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-7-yl]ethyl butanoate Openeye Name: 1-(3-isobutyl-1-methyl-2,6-dioxo-purin-7-yl)ethyl butanoate CAS Name: butanoic 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 butanoate Traditional Name: butyric acid 1-(3-isobutyl-2,6-diketo-1-methyl-purin-7-yl)ethyl ester Formula: C16H24N4O4 MolecularWeight: 336.38616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O4/c1-6-7-12(21)24-11(4)20-9-17-14-13(20)15(22)18(5)16(23)19(14)8-10(2)3/h9-11H,6-8H2,1-5H3