[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl (1S,2R)-2-methylcyclopropane-1-carboxylate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl (1S,2R)-2-methylcyclopropane-1-carboxylate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl (1S,2R)-2-methylcyclopropanecarboxylate CAS Name: (1S,2R)-2-methyl-1-cyclopropanecarboxylic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl (1S,2R)-2-methylcyclopropane-1-carboxylate Traditional Name: (1S,2R)-2-methylcyclopropanecarboxylic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C17H24N4O4 MolecularWeight: 348.39686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3CC3C)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)[C@H]3C[C@H]3C)CC

InChI

InChI=1S/C17H24N4O4/c1-4-6-7-21-14-13(15(22)19-17(21)24)20(5-2)12(18-14)9-25-16(23)11-8-10(11)3/h10-11H,4-9H2,1-3H3,(H,19,22,24)/t10-,11+/m1/s1