N-(4-bromanyl-2-methyl-phenyl)-2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)acetamide Formula: C16H15BrClN5O3 MolecularWeight: 440.679

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C16H15BrClN5O3/c1-8-6-9(17)4-5-10(8)19-11(24)7-23-12-13(20-15(23)18)21(2)16(26)22(3)14(12)25/h4-6H,7H2,1-3H3,(H,19,24)