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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O2S/c24-17(22-10-6-1-2-7-11-22)12-23-14-21-19-18(20(23)25)16(13-26-19)15-8-4-3-5-9-15/h3-5,8-9,13-14H,1-2,6-7,10-12H2