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

Systemtic Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]thieno[2,3-d]pyrimidine CAS Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]thieno[2,3-d]pyrimidine IUPAC Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]thieno[2,3-d]pyrimidine Traditional Name: 4-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]thieno[2,3-d]pyrimidine Formula: C19H20N4O4S2 MolecularWeight: 432.5165

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=C5C=CSC5=NC=N4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=C5C=CSC5=NC=N4)OC1

InChI

InChI=1S/C19H20N4O4S2/c24-29(25,14-2-3-16-17(12-14)27-10-1-9-26-16)23-7-5-22(6-8-23)18-15-4-11-28-19(15)21-13-20-18/h2-4,11-13H,1,5-10H2