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

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanamide CAS Name: N-(4-bromo-2-chlorophenyl)-4-(1,3-dimethyl-2,6-dioxo-7-purinyl)butanamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyramide Formula: C17H17BrClN5O3 MolecularWeight: 454.70558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrClN5O3/c1-22-15-14(16(26)23(2)17(22)27)24(9-20-15)7-3-4-13(25)21-12-6-5-10(18)8-11(12)19/h5-6,8-9H,3-4,7H2,1-2H3,(H,21,25)