[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-methylpropanoate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-methylpropanoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 2-methylpropanoate CAS Name: 2-methylpropanoic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 2-methylpropanoate Traditional Name: 2-methylpropionic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C16H24N4O4 MolecularWeight: 336.38616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C(C)C)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C(C)C)CC

InChI

InChI=1S/C16H24N4O4/c1-5-7-8-20-13-12(14(21)18-16(20)23)19(6-2)11(17-13)9-24-15(22)10(3)4/h10H,5-9H2,1-4H3,(H,18,21,23)