N-(4-acetamido-3-chloranyl-phenyl)-2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanamide

Systemtic Name: N-(4-acetamido-3-chloranyl-phenyl)-2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanamide Openeye Name: N-(4-acetamido-3-chloro-phenyl)-2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-9-yl)acetamide CAS Name: N-(4-acetamido-3-chlorophenyl)-2-(8-bromo-1,3-dimethyl-2,6-dioxo-9-purinyl)acetamide IUPAC Name: N-(4-acetamido-3-chlorophenyl)-2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide Traditional Name: N-(4-acetamido-3-chloro-phenyl)-2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-9-yl)acetamide Formula: C17H16BrClN6O4 MolecularWeight: 483.70374

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)NC(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)NC(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br)Cl

InChI

InChI=1S/C17H16BrClN6O4/c1-8(26)20-11-5-4-9(6-10(11)19)21-12(27)7-25-14-13(22-16(25)18)15(28)24(3)17(29)23(14)2/h4-6H,7H2,1-3H3,(H,20,26)(H,21,27)