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

Systemtic Name: ethyl 4-(carbamothioylamino)-5-methyl-2-sulfanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-(carbamothioylamino)-5-methyl-2-thioxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(carbamothioylamino)-5-methyl-2-sulfanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(carbamothioylamino)-5-methyl-2-sulfanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-thioureido-2-thioxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C11H12N4O2S3 MolecularWeight: 328.43358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(NC(=S)N=C2S1)NC(=S)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(NC(=S)N=C2S1)NC(=S)N)C

InChI

InChI=1S/C11H12N4O2S3/c1-3-17-9(16)6-4(2)5-7(13-10(12)18)14-11(19)15-8(5)20-6/h3H2,1-2H3,(H4,12,13,14,15,18,19)