2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-5,6-dimethyl-3-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N3CCCCCC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N3CCCCCC3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H25N3O2S2/c1-15-16(2)29-20-19(15)21(27)25(17-10-6-5-7-11-17)22(23-20)28-14-18(26)24-12-8-3-4-9-13-24/h5-7,10-11H,3-4,8-9,12-14H2,1-2H3