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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-5-(2-furyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-5-(2-furanyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-5-(2-furyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H17N3O2S2 MolecularWeight: 395.49788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)CC3=NC4=C(C(=CS4)C5=CC=CO5)C(=O)N3

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)CC3=NC4=C(C(=CS4)C5=CC=CO5)C(=O)N3

InChI

InChI=1S/C20H17N3O2S2/c24-19-18-13(15-6-3-9-25-15)12-27-20(18)22-17(21-19)11-23-8-4-10-26-16-7-2-1-5-14(16)23/h1-3,5-7,9,12H,4,8,10-11H2,(H,21,22,24)