3-ethyl-2-[(3-oxidanylidenebenzo[f]chromen-1-yl)methylsulfanyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-ethyl-2-[(3-oxidanylidenebenzo[f]chromen-1-yl)methylsulfanyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-ethyl-2-[(3-oxobenzo[f]chromen-1-yl)methylsulfanyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-ethyl-2-[(3-oxo-1-benzo[f][1]benzopyranyl)methylthio]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-ethyl-2-[(3-oxobenzo[f]chromen-1-yl)methylsulfanyl]-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-ethyl-2-[(3-ketobenzo[f]chromen-1-yl)methylthio]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C28H20N2O3S2 MolecularWeight: 496.6

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4)SC=C2C6=CC=CC=C6

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4)SC=C2C6=CC=CC=C6

InChI

InChI=1S/C28H20N2O3S2/c1-2-30-27(32)25-21(17-8-4-3-5-9-17)16-34-26(25)29-28(30)35-15-19-14-23(31)33-22-13-12-18-10-6-7-11-20(18)24(19)22/h3-14,16H,2,15H2,1H3