3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-bromanylbenzoate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-bromanylbenzoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 2-bromobenzoate CAS Name: 2-bromobenzoic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 2-bromobenzoate Traditional Name: 2-bromobenzoic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C17H17BrN4O4 MolecularWeight: 421.24528

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C17H17BrN4O4/c1-20-10-19-14-13(20)15(23)22(17(25)21(14)2)8-5-9-26-16(24)11-6-3-4-7-12(11)18/h3-4,6-7,10H,5,8-9H2,1-2H3