2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C16H13ClN2O3S2 MolecularWeight: 380.86902

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CSC3=NC4=C(C=CS4)C(=O)N3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CSC3=NC4=C(C=CS4)C(=O)N3)Cl)OC1

InChI

InChI=1S/C16H13ClN2O3S2/c17-11-6-9(7-12-13(11)22-4-1-3-21-12)8-24-16-18-14(20)10-2-5-23-15(10)19-16/h2,5-7H,1,3-4,8H2,(H,18,19,20)