N-[2-(5-bromanylthiophen-2-yl)ethyl]-5-methyl-2-(methylsulfanylmethyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-[2-(5-bromanylthiophen-2-yl)ethyl]-5-methyl-2-(methylsulfanylmethyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-[2-(5-bromo-2-thienyl)ethyl]-5-methyl-2-(methylsulfanylmethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-[2-(5-bromo-2-thiophenyl)ethyl]-5-methyl-2-[(methylthio)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide IUPAC Name: N-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-2-(methylsulfanylmethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-[2-(5-bromo-2-thienyl)ethyl]-4-keto-5-methyl-2-[(methylthio)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C16H16BrN3O2S3 MolecularWeight: 458.41614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC)C(=O)NCCC3=CC=C(S3)Br

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC)C(=O)NCCC3=CC=C(S3)Br

InChI

InChI=1S/C16H16BrN3O2S3/c1-8-12-14(21)19-11(7-23-2)20-16(12)25-13(8)15(22)18-6-5-9-3-4-10(17)24-9/h3-4H,5-7H2,1-2H3,(H,18,22)(H,19,20,21)