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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one Formula: C16H15N3OS2 MolecularWeight: 329.4398

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)CC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)CC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C16H15N3OS2/c20-16-15-11(6-9-22-15)17-14(18-16)10-19-7-3-8-21-13-5-2-1-4-12(13)19/h1-2,4-6,9H,3,7-8,10H2,(H,17,18,20)