N-(5-bromanyl-1,3-thiazol-2-yl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide

Systemtic Name: N-(5-bromanyl-1,3-thiazol-2-yl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide Openeye Name: N-(5-bromothiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetamide CAS Name: N-(5-bromo-2-thiazolyl)-2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetamide IUPAC Name: N-(5-bromo-1,3-thiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide Traditional Name: N-(5-bromothiazol-2-yl)-2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetamide Formula: C12H11BrN6O3S MolecularWeight: 399.22314

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=NC=C(S3)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=NC=C(S3)Br

InChI

InChI=1S/C12H11BrN6O3S/c1-17-9-8(10(21)18(2)12(17)22)19(5-15-9)4-7(20)16-11-14-3-6(13)23-11/h3,5H,4H2,1-2H3,(H,14,16,20)