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

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl (1S,2S)-2-methylcyclopropane-1-carboxylate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl (1S,2S)-2-methylcyclopropanecarboxylate CAS Name: (1S,2S)-2-methyl-1-cyclopropanecarboxylic acid (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl (1S,2S)-2-methylcyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-methylcyclopropanecarboxylic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C16H22N4O4 MolecularWeight: 334.37028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O4/c1-4-5-6-20-13-12(14(21)18-16(20)23)19(3)11(17-13)8-24-15(22)10-7-9(10)2/h9-10H,4-8H2,1-3H3,(H,18,21,23)/t9-,10-/m0/s1