N-[2-(azepan-1-yl)phenyl]-2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide CAS Name: N-[2-(1-azepanyl)phenyl]-2-(4-oxo-3-thieno[2,3-d]pyrimidinyl)acetamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-2-(4-ketothieno[2,3-d]pyrimidin-3-yl)acetamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2NC(=O)CN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2NC(=O)CN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C20H22N4O2S/c25-18(13-24-14-21-19-15(20(24)26)9-12-27-19)22-16-7-3-4-8-17(16)23-10-5-1-2-6-11-23/h3-4,7-9,12,14H,1-2,5-6,10-11,13H2,(H,22,25)