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

Systemtic Name: 4-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-6-phenyl-thieno[2,3-d]pyrimidine Openeye Name: 4-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-6-phenyl-thieno[2,3-d]pyrimidine CAS Name: 4-[4-(1-azepanylsulfonyl)-1-piperazinyl]-6-phenylthieno[2,3-d]pyrimidine IUPAC Name: 4-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-6-phenylthieno[2,3-d]pyrimidine Traditional Name: 4-[4-(azepan-1-ylsulfonyl)piperazino]-6-phenyl-thieno[2,3-d]pyrimidine Formula: C22H27N5O2S2 MolecularWeight: 457.61208

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C3=C4C=C(SC4=NC=N3)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C3=C4C=C(SC4=NC=N3)C5=CC=CC=C5

InChI

InChI=1S/C22H27N5O2S2/c28-31(29,26-10-6-1-2-7-11-26)27-14-12-25(13-15-27)21-19-16-20(18-8-4-3-5-9-18)30-22(19)24-17-23-21/h3-5,8-9,16-17H,1-2,6-7,10-15H2