2-[2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-9-yl)acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-(8-bromo-1,3-dimethyl-2,6-dioxo-9-purinyl)-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-9-yl)acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-9-yl)acetyl]amino]thiophene-3-carboxamide Formula: C14H13BrN6O4S MolecularWeight: 441.25982

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)NC3=C(C=CS3)C(=O)N)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)NC3=C(C=CS3)C(=O)N)Br

InChI

InChI=1S/C14H13BrN6O4S/c1-19-11-8(12(24)20(2)14(19)25)18-13(15)21(11)5-7(22)17-10-6(9(16)23)3-4-26-10/h3-4H,5H2,1-2H3,(H2,16,23)(H,17,22)