ethyl 3-[(3-bromophenyl)methyl]-5-methyl-4-oxidanylidene-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 3-[(3-bromophenyl)methyl]-5-methyl-4-oxidanylidene-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-[(3-bromophenyl)methyl]-5-methyl-4-oxo-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[(3-bromophenyl)methyl]-5-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-bromophenyl)methyl]-5-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(3-bromobenzyl)-4-keto-5-methyl-2-thioxo-1H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H15BrN2O3S2 MolecularWeight: 439.3466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)NC(=S)N(C2=O)CC3=CC(=CC=C3)Br)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)NC(=S)N(C2=O)CC3=CC(=CC=C3)Br)C

InChI

InChI=1S/C17H15BrN2O3S2/c1-3-23-16(22)13-9(2)12-14(25-13)19-17(24)20(15(12)21)8-10-5-4-6-11(18)7-10/h4-7H,3,8H2,1-2H3,(H,19,24)