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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylsulfanyl)-5,6-dimethyl-thieno[2,3-d]pyrimidine Openeye Name: 4-(1,3-benzodioxol-5-ylmethylsulfanyl)-5,6-dimethyl-thieno[2,3-d]pyrimidine CAS Name: 4-(1,3-benzodioxol-5-ylmethylthio)-5,6-dimethylthieno[2,3-d]pyrimidine IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine Traditional Name: 5,6-dimethyl-4-(piperonylthio)thieno[2,3-d]pyrimidine Formula: C16H14N2O2S2 MolecularWeight: 330.42456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C16H14N2O2S2/c1-9-10(2)22-16-14(9)15(17-7-18-16)21-6-11-3-4-12-13(5-11)20-8-19-12/h3-5,7H,6,8H2,1-2H3