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

Systemtic Name: 1-[8-cyclopentyl-2,6-bis(oxidanylidene)-1-propyl-7H-purin-3-yl]propan-2-yl 2-bromanylethanoate Openeye Name: [2-(8-cyclopentyl-2,6-dioxo-1-propyl-7H-purin-3-yl)-1-methyl-ethyl] 2-bromoacetate CAS Name: 2-bromoacetic acid 1-(8-cyclopentyl-2,6-dioxo-1-propyl-7H-purin-3-yl)propan-2-yl ester IUPAC Name: 1-(8-cyclopentyl-2,6-dioxo-1-propyl-7H-purin-3-yl)propan-2-yl 2-bromoacetate Traditional Name: 2-bromoacetic acid [2-(8-cyclopentyl-2,6-diketo-1-propyl-7H-purin-3-yl)-1-methyl-ethyl] 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)CC(C)OC(=O)CBr

Isomeric SMILES

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

InChI

InChI=1S/C18H25BrN4O4/c1-3-8-22-17(25)14-16(21-15(20-14)12-6-4-5-7-12)23(18(22)26)10-11(2)27-13(24)9-19/h11-12H,3-10H2,1-2H3,(H,20,21)