ethyl 4-azanyl-2-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-azanyl-2-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-2-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-2-[(1,3-benzothiazol-2-ylthio)methyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-2-[(1,3-benzothiazol-2-ylthio)methyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H16N4O2S3 MolecularWeight: 416.54024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=NC4=CC=CC=C4S3)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=NC4=CC=CC=C4S3)N)C

InChI

InChI=1S/C18H16N4O2S3/c1-3-24-17(23)14-9(2)13-15(19)21-12(22-16(13)27-14)8-25-18-20-10-6-4-5-7-11(10)26-18/h4-7H,3,8H2,1-2H3,(H2,19,21,22)