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

Systemtic Name: 2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]-N-(3-chloranyl-4-methoxy-phenyl)ethanamide Openeye Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-9-yl)-N-(3-chloro-4-methoxy-phenyl)acetamide CAS Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-9-purinyl)-N-(3-chloro-4-methoxyphenyl)acetamide IUPAC Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(3-chloro-4-methoxyphenyl)acetamide Traditional Name: 2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-9-yl)-N-(3-chloro-4-methoxy-phenyl)acetamide Formula: C16H15BrClN5O4 MolecularWeight: 456.6784

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)NC3=CC(=C(C=C3)OC)Cl)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)NC3=CC(=C(C=C3)OC)Cl)Br

InChI

InChI=1S/C16H15BrClN5O4/c1-21-13-12(14(25)22(2)16(21)26)20-15(17)23(13)7-11(24)19-8-4-5-10(27-3)9(18)6-8/h4-6H,7H2,1-3H3,(H,19,24)