ethyl 4-azanyl-2-(1,3-benzothiazol-2-ylsulfanylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-(1,3-benzothiazol-2-ylsulfanylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(1,3-benzothiazol-2-ylsulfanylmethylsulfanyl)pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(1,3-benzothiazol-2-ylthio)methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-(1,3-benzothiazol-2-ylsulfanylmethylsulfanyl)pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(1,3-benzothiazol-2-ylthio)methylthio]pyrimidine-5-carboxylic acid ethyl ester Formula: C15H14N4O2S3 MolecularWeight: 378.49226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C15H14N4O2S3/c1-2-21-13(20)9-7-17-14(19-12(9)16)22-8-23-15-18-10-5-3-4-6-11(10)24-15/h3-7H,2,8H2,1H3,(H2,16,17,19)