4-(1,3-benzothiazol-2-ylmethylsulfanyl)-5,6-dimethyl-thieno[2,3-d]pyrimidine

Systemtic Name: 4-(1,3-benzothiazol-2-ylmethylsulfanyl)-5,6-dimethyl-thieno[2,3-d]pyrimidine Openeye Name: 4-(1,3-benzothiazol-2-ylmethylsulfanyl)-5,6-dimethyl-thieno[2,3-d]pyrimidine CAS Name: 4-(1,3-benzothiazol-2-ylmethylthio)-5,6-dimethylthieno[2,3-d]pyrimidine IUPAC Name: 4-(1,3-benzothiazol-2-ylmethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine Traditional Name: 4-(1,3-benzothiazol-2-ylmethylthio)-5,6-dimethyl-thieno[2,3-d]pyrimidine Formula: C16H13N3S3 MolecularWeight: 343.48952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SCC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SCC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C16H13N3S3/c1-9-10(2)21-16-14(9)15(17-8-18-16)20-7-13-19-11-5-3-4-6-12(11)22-13/h3-6,8H,7H2,1-2H3