1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-ethanone Openeye Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-ethanone CAS Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-2-(4-thieno[3,2-d]pyrimidinylthio)ethanone IUPAC Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanone Traditional Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-2-(thieno[3,2-d]pyrimidin-4-ylthio)ethanone Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=NC=NC3=C2SC=C3)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1CC(N(C1)C(=O)CSC2=NC=NC3=C2SC=C3)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C21H21N3O3S2/c25-19(12-29-21-20-15(6-10-28-20)22-13-23-21)24-7-1-3-16(24)14-4-5-17-18(11-14)27-9-2-8-26-17/h4-6,10-11,13,16H,1-3,7-9,12H2