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

Systemtic Name: ethyl 3-[(3-bromophenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-[(3-bromophenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[(3-bromophenyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(3-bromophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(3-bromobenzyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H15BrN2O3S MolecularWeight: 407.2816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN2O3S/c1-3-23-17(22)14-10(2)13-15(24-14)19-9-20(16(13)21)8-11-5-4-6-12(18)7-11/h4-7,9H,3,8H2,1-2H3