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

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-(4-oxo-3-thieno[2,3-d]pyrimidinyl)acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide Traditional Name: N-[4-(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=C(C=C2)NC(=O)CN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O2S/c25-18(13-24-14-21-19-17(20(24)26)9-12-27-19)22-15-5-7-16(8-6-15)23-10-3-1-2-4-11-23/h5-9,12,14H,1-4,10-11,13H2,(H,22,25)