2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H19N3OS2 MolecularWeight: 405.53576

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)CC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C22H19N3OS2/c26-21-20-16(15-7-2-1-3-8-15)14-28-22(20)24-19(23-21)13-25-11-6-12-27-18-10-5-4-9-17(18)25/h1-5,7-10,14H,6,11-13H2,(H,23,24,26)