4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)thieno[2,3-d]pyrimidine

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)thieno[2,3-d]pyrimidine Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)thieno[2,3-d]pyrimidine CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)thieno[2,3-d]pyrimidine IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)thieno[2,3-d]pyrimidine Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)thieno[2,3-d]pyrimidine Formula: C15H12N2O2S2 MolecularWeight: 316.39798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SC3=NC=NC4=C3C=CS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SC3=NC=NC4=C3C=CS4)OC1

InChI

InChI=1S/C15H12N2O2S2/c1-5-18-12-3-2-10(8-13(12)19-6-1)21-15-11-4-7-20-14(11)16-9-17-15/h2-4,7-9H,1,5-6H2