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

Systemtic Name: 2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]-N-(2-methyl-1-thiophen-2-yl-propyl)ethanamide Openeye Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-9-yl)-N-[2-methyl-1-(2-thienyl)propyl]acetamide CAS Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-9-purinyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide IUPAC Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide Traditional Name: 2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-9-yl)-N-[2-methyl-1-(2-thienyl)propyl]acetamide Formula: C17H20BrN5O3S MolecularWeight: 454.3414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CS1)NC(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br

Isomeric SMILES

CC(C)C(C1=CC=CS1)NC(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br

InChI

InChI=1S/C17H20BrN5O3S/c1-9(2)12(10-6-5-7-27-10)19-11(24)8-23-14-13(20-16(23)18)15(25)22(4)17(26)21(14)3/h5-7,9,12H,8H2,1-4H3,(H,19,24)