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

Systemtic Name: 2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-9-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-9-purinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-9-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide Formula: C17H15BrN6O3S MolecularWeight: 463.3084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C4=C(C(=O)N(C(=O)N4C)C)N=C3Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C4=C(C(=O)N(C(=O)N4C)C)N=C3Br

InChI

InChI=1S/C17H15BrN6O3S/c1-8-4-5-9-10(6-8)28-16(19-9)20-11(25)7-24-13-12(21-15(24)18)14(26)23(3)17(27)22(13)2/h4-6H,7H2,1-3H3,(H,19,20,25)