N-(4-bromanyl-2-chloranyl-phenyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetamide CAS Name: N-(4-bromo-2-chlorophenyl)-2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetamide Formula: C15H13BrClN5O3 MolecularWeight: 426.65242

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C15H13BrClN5O3/c1-20-13-12(14(24)21(2)15(20)25)22(7-18-13)6-11(23)19-10-4-3-8(16)5-9(10)17/h3-5,7H,6H2,1-2H3,(H,19,23)