2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]amino]ethyl cyclopropanecarboxylate

Systemtic Name: 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]amino]ethyl cyclopropanecarboxylate Openeye Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]ethyl cyclopropanecarboxylate CAS Name: cyclopropanecarboxylic acid 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]ethyl ester IUPAC Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]ethyl cyclopropanecarboxylate Traditional Name: cyclopropanecarboxylic acid 2-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)amino]ethyl ester Formula: C13H17N5O4 MolecularWeight: 307.30518

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NCCOC(=O)C3CC3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NCCOC(=O)C3CC3

InChI

InChI=1S/C13H17N5O4/c1-17-9-8(10(19)18(2)13(17)21)15-12(16-9)14-5-6-22-11(20)7-3-4-7/h7H,3-6H2,1-2H3,(H2,14,15,16)