methyl 5-azanyl-2-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-4-(phenylmethylsulfanyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 5-azanyl-2-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-4-(phenylmethylsulfanyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-amino-4-benzylsulfanyl-2-(2-methoxy-2-oxo-ethyl)sulfanyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-2-[(2-methoxy-2-oxoethyl)thio]-4-(phenylmethylthio)-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-4-benzylsulfanyl-2-(2-methoxy-2-oxoethyl)sulfanylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-4-(benzylthio)-2-[(2-keto-2-methoxy-ethyl)thio]thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C18H17N3O4S3 MolecularWeight: 435.54028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=C(C(=C(S2)C(=O)OC)N)C(=N1)SCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CSC1=NC2=C(C(=C(S2)C(=O)OC)N)C(=N1)SCC3=CC=CC=C3

InChI

InChI=1S/C18H17N3O4S3/c1-24-11(22)9-27-18-20-15(26-8-10-6-4-3-5-7-10)12-13(19)14(17(23)25-2)28-16(12)21-18/h3-7H,8-9,19H2,1-2H3