2-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C18H20N4O3S3 MolecularWeight: 436.5714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C18H20N4O3S3/c23-18-17-14(7-10-26-17)20-15(21-18)12-27-16-6-5-13(11-19-16)28(24,25)22-8-3-1-2-4-9-22/h5-7,10-11H,1-4,8-9,12H2,(H,20,21,23)