1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-thieno[2,3-d]pyrimidin-4-yloxy-ethanone

Systemtic Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-thieno[2,3-d]pyrimidin-4-yloxy-ethanone Openeye Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-thieno[2,3-d]pyrimidin-4-yloxy-ethanone CAS Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]-2-(4-thieno[2,3-d]pyrimidinyloxy)ethanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-thieno[2,3-d]pyrimidin-4-yloxyethanone Traditional Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-thieno[2,3-d]pyrimidin-4-yloxy-ethanone Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)COC4=C5C=CSC5=NC=N4

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)COC4=C5C=CSC5=NC=N4

InChI

InChI=1S/C21H17N3O4S/c1-12-7-16(13(2)24(12)14-3-4-18-19(8-14)28-11-27-18)17(25)9-26-20-15-5-6-29-21(15)23-10-22-20/h3-8,10H,9,11H2,1-2H3