4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]thieno[2,3-d]pyrimidine

Systemtic Name: 4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]thieno[2,3-d]pyrimidine Openeye Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]thieno[2,3-d]pyrimidine CAS Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]thieno[2,3-d]pyrimidine IUPAC Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]thieno[2,3-d]pyrimidine Traditional Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]thieno[2,3-d]pyrimidine Formula: C16H13ClN2O2S2 MolecularWeight: 364.86962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CSC3=NC=NC4=C3C=CS4)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CSC3=NC=NC4=C3C=CS4)Cl)OC1

InChI

InChI=1S/C16H13ClN2O2S2/c17-12-6-10(7-13-14(12)21-4-1-3-20-13)8-23-16-11-2-5-22-15(11)18-9-19-16/h2,5-7,9H,1,3-4,8H2