4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]thieno[2,3-d]pyrimidine

Systemtic Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]thieno[2,3-d]pyrimidine CAS Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]thieno[2,3-d]pyrimidine IUPAC Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]thieno[2,3-d]pyrimidine Traditional Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]thieno[2,3-d]pyrimidine Formula: C18H18N4O4S2 MolecularWeight: 418.48992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CSC3=NC=N2)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCN1C2=C3C=CSC3=NC=N2)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C18H18N4O4S2/c23-28(24,13-1-2-15-16(11-13)26-9-8-25-15)22-6-4-21(5-7-22)17-14-3-10-27-18(14)20-12-19-17/h1-3,10-12H,4-9H2