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

Systemtic Name: methyl 2-[[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[[(5-bromo-2-thienyl)methyl-ethyl-amino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[(5-bromo-2-thiophenyl)methyl-ethylamino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(5-bromothiophen-2-yl)methyl-ethylamino]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(5-bromo-2-thienyl)methyl-ethyl-amino]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C17H18BrN3O3S2 MolecularWeight: 456.37712

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Br)CC2=NC3=C(C(=C(S3)C(=O)OC)C)C(=O)N2

Isomeric SMILES

CCN(CC1=CC=C(S1)Br)CC2=NC3=C(C(=C(S3)C(=O)OC)C)C(=O)N2

InChI

InChI=1S/C17H18BrN3O3S2/c1-4-21(7-10-5-6-11(18)25-10)8-12-19-15(22)13-9(2)14(17(23)24-3)26-16(13)20-12/h5-6H,4,7-8H2,1-3H3,(H,19,20,22)