2-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H24N4O3S3 MolecularWeight: 464.62456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCCC4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCCC4)C

InChI

InChI=1S/C20H24N4O3S3/c1-13-14(2)29-20-18(13)19(25)22-16(23-20)12-28-17-8-7-15(11-21-17)30(26,27)24-9-5-3-4-6-10-24/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,22,23,25)