3-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-one Formula: C25H25N3O4S2 MolecularWeight: 495.6137

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=O)CN3C=NC4=C(C3=O)C(=CS4)C5=CC=CS5)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=O)CN3C=NC4=C(C3=O)C(=CS4)C5=CC=CS5)OCC

InChI

InChI=1S/C25H25N3O4S2/c1-3-31-19-10-16-7-8-27(12-17(16)11-20(19)32-4-2)22(29)13-28-15-26-24-23(25(28)30)18(14-34-24)21-6-5-9-33-21/h5-6,9-11,14-15H,3-4,7-8,12-13H2,1-2H3