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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-cyclopropyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-5-cyclopropyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-5-cyclopropyl-3-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-5-cyclopropyl-3-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-5-cyclopropyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C23H25N3O2S2 MolecularWeight: 439.5935

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC3=C(C(=CS3)C4CC4)C(=O)N2C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC3=C(C(=CS3)C4CC4)C(=O)N2C5=CC=CC=C5

InChI

InChI=1S/C23H25N3O2S2/c27-19(25-12-6-1-2-7-13-25)15-30-23-24-21-20(18(14-29-21)16-10-11-16)22(28)26(23)17-8-4-3-5-9-17/h3-5,8-9,14,16H,1-2,6-7,10-13,15H2