3-[8-cyclopentyl-2,6-bis(oxidanylidene)-1-propyl-7H-purin-3-yl]propyl 2-bromanylethanoate

Systemtic Name: 3-[8-cyclopentyl-2,6-bis(oxidanylidene)-1-propyl-7H-purin-3-yl]propyl 2-bromanylethanoate Openeye Name: 3-(8-cyclopentyl-2,6-dioxo-1-propyl-7H-purin-3-yl)propyl 2-bromoacetate CAS Name: 2-bromoacetic acid 3-(8-cyclopentyl-2,6-dioxo-1-propyl-7H-purin-3-yl)propyl ester IUPAC Name: 3-(8-cyclopentyl-2,6-dioxo-1-propyl-7H-purin-3-yl)propyl 2-bromoacetate Traditional Name: 2-bromoacetic acid 3-(8-cyclopentyl-2,6-diketo-1-propyl-7H-purin-3-yl)propyl ester Formula: C18H25BrN4O4 MolecularWeight: 441.3195

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)CCCOC(=O)CBr

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)C3CCCC3)N(C1=O)CCCOC(=O)CBr

InChI

InChI=1S/C18H25BrN4O4/c1-2-8-23-17(25)14-16(21-15(20-14)12-6-3-4-7-12)22(18(23)26)9-5-10-27-13(24)11-19/h12H,2-11H2,1H3,(H,20,21)