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

Systemtic Name: 2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]-N-(4-methyl-1,3-thiazol-2-yl)ethanamide Openeye Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-9-yl)-N-(4-methylthiazol-2-yl)acetamide CAS Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-9-purinyl)-N-(4-methyl-2-thiazolyl)acetamide IUPAC Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide Traditional Name: 2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-9-yl)-N-(4-methylthiazol-2-yl)acetamide Formula: C13H13BrN6O3S MolecularWeight: 413.24972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br

Isomeric SMILES

CC1=CSC(=N1)NC(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br

InChI

InChI=1S/C13H13BrN6O3S/c1-6-5-24-12(15-6)16-7(21)4-20-9-8(17-11(20)14)10(22)19(3)13(23)18(9)2/h5H,4H2,1-3H3,(H,15,16,21)