4-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylthieno[2,3-d]pyrimidine

Systemtic Name: 4-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylthieno[2,3-d]pyrimidine Openeye Name: 4-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]thieno[2,3-d]pyrimidine CAS Name: 4-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]thieno[2,3-d]pyrimidine IUPAC Name: 4-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylthieno[2,3-d]pyrimidine Traditional Name: 4-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]thieno[2,3-d]pyrimidine Formula: C17H18N4O2S3 MolecularWeight: 406.54542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C17H18N4O2S3/c22-26(23,21-8-3-1-2-4-9-21)13-5-6-15(18-11-13)25-17-14-7-10-24-16(14)19-12-20-17/h5-7,10-12H,1-4,8-9H2