ethyl 5-methyl-4-oxidanylidene-2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[(5-anilino-1,3,4-thiadiazol-2-yl)thio]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(5-anilino-1,3,4-thiadiazol-2-yl)thio]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H17N5O3S3 MolecularWeight: 459.56498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CSC3=NN=C(S3)NC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CSC3=NN=C(S3)NC4=CC=CC=C4)C

InChI

InChI=1S/C19H17N5O3S3/c1-3-27-17(26)14-10(2)13-15(25)21-12(22-16(13)29-14)9-28-19-24-23-18(30-19)20-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,20,23)(H,21,22,25)