2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H18N2O3S2 MolecularWeight: 374.47712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=CC4=C(C=C3)OCCCO4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=CC4=C(C=C3)OCCCO4)C

InChI

InChI=1S/C18H18N2O3S2/c1-10-11(2)25-18-16(10)17(21)19-15(20-18)9-24-12-4-5-13-14(8-12)23-7-3-6-22-13/h4-5,8H,3,6-7,9H2,1-2H3,(H,19,20,21)