1-(1,3-benzodioxol-5-yl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)thio]ethanone Formula: C21H14N2O3S2 MolecularWeight: 406.47746

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NC=NC4=C3C(=CS4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NC=NC4=C3C(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C21H14N2O3S2/c24-16(14-6-7-17-18(8-14)26-12-25-17)10-28-21-19-15(13-4-2-1-3-5-13)9-27-20(19)22-11-23-21/h1-9,11H,10,12H2