2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]-N-[(3-methoxyphenyl)methyl]ethanamide

Systemtic Name: 2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]-N-[(3-methoxyphenyl)methyl]ethanamide Openeye Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-9-yl)-N-[(3-methoxyphenyl)methyl]acetamide CAS Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-9-purinyl)-N-[(3-methoxyphenyl)methyl]acetamide IUPAC Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-9-yl)-N-[(3-methoxyphenyl)methyl]acetamide Traditional Name: 2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-9-yl)-N-m-anisyl-acetamide Formula: C17H18BrN5O4 MolecularWeight: 436.25992

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)NCC3=CC(=CC=C3)OC)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)NCC3=CC(=CC=C3)OC)Br

InChI

InChI=1S/C17H18BrN5O4/c1-21-14-13(15(25)22(2)17(21)26)20-16(18)23(14)9-12(24)19-8-10-5-4-6-11(7-10)27-3/h4-7H,8-9H2,1-3H3,(H,19,24)