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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-1H-[1]benzofuro[3,2-d]pyrimidin-4-one Openeye Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-1H-benzofuro[3,2-d]pyrimidin-4-one CAS Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-1H-benzofuro[3,2-d]pyrimidin-4-one IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-1H-[1]benzofuro[3,2-d]pyrimidin-4-one Traditional Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-1H-benzofuro[3,2-d]pyrimidin-4-one Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)CC3=NC(=O)C4=C(N3)C5=CC=CC=C5O4

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)CC3=NC(=O)C4=C(N3)C5=CC=CC=C5O4

InChI

InChI=1S/C20H17N3O2S/c24-20-19-18(13-6-1-3-8-15(13)25-19)21-17(22-20)12-23-10-5-11-26-16-9-4-2-7-14(16)23/h1-4,6-9H,5,10-12H2,(H,21,22,24)