[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-(4-bromophenyl)ethanoate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-(4-bromophenyl)ethanoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 2-(4-bromophenyl)acetate CAS Name: 2-(4-bromophenyl)acetic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 2-(4-bromophenyl)acetate Traditional Name: 2-(4-bromophenyl)acetic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C20H23BrN4O4 MolecularWeight: 463.32502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CC3=CC=C(C=C3)Br)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CC3=CC=C(C=C3)Br)CC

InChI

InChI=1S/C20H23BrN4O4/c1-3-5-10-25-18-17(19(27)23-20(25)28)24(4-2)15(22-18)12-29-16(26)11-13-6-8-14(21)9-7-13/h6-9H,3-5,10-12H2,1-2H3,(H,23,27,28)