6-[3-[3-(azepan-1-yl)propyl]-5-phenyl-imidazol-4-yl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-[3-[3-(azepan-1-yl)propyl]-5-phenyl-imidazol-4-yl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-[3-[3-(azepan-1-yl)propyl]-5-phenyl-imidazol-4-yl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-[3-[3-(1-azepanyl)propyl]-5-phenyl-4-imidazolyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-[3-[3-(azepan-1-yl)propyl]-5-phenylimidazol-4-yl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-[3-[3-(azepan-1-yl)propyl]-5-phenyl-imidazol-4-yl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C24H27N5OS MolecularWeight: 433.56908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCN2C=NC(=C2C3=CC4=C(S3)N=CNC4=O)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)CCCN2C=NC(=C2C3=CC4=C(S3)N=CNC4=O)C5=CC=CC=C5

InChI

InChI=1S/C24H27N5OS/c30-23-19-15-20(31-24(19)26-16-25-23)22-21(18-9-4-3-5-10-18)27-17-29(22)14-8-13-28-11-6-1-2-7-12-28/h3-5,9-10,15-17H,1-2,6-8,11-14H2,(H,25,26,30)