[4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]phenyl] 2-bromanylbenzoate

Systemtic Name: [4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]phenyl] 2-bromanylbenzoate Openeye Name: [4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)phenyl] ester IUPAC Name: [4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)phenyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [4-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)phenyl] ester Formula: C20H15BrN4O4 MolecularWeight: 455.2615

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C20H15BrN4O4/c1-24-17-15(18(26)25(2)20(24)28)22-16(23-17)11-7-9-12(10-8-11)29-19(27)13-5-3-4-6-14(13)21/h3-10H,1-2H3,(H,22,23)