1-(6-ethanoyl-4-phenyl-5-pyrrol-1-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropan-2-one

Systemtic Name: 1-(6-ethanoyl-4-phenyl-5-pyrrol-1-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropan-2-one Openeye Name: 1-(6-acetyl-4-phenyl-5-pyrrol-1-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropan-2-one CAS Name: 1-[[6-acetyl-4-phenyl-5-(1-pyrrolyl)-2-thieno[2,3-d]pyrimidinyl]thio]-2-propanone IUPAC Name: 1-(6-acetyl-4-phenyl-5-pyrrol-1-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropan-2-one Traditional Name: 1-[(6-acetyl-4-phenyl-5-pyrrol-1-yl-thieno[2,3-d]pyrimidin-2-yl)thio]acetone Formula: C21H17N3O2S2 MolecularWeight: 407.50858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC(=C2C(=C(SC2=N1)C(=O)C)N3C=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)CSC1=NC(=C2C(=C(SC2=N1)C(=O)C)N3C=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O2S2/c1-13(25)12-27-21-22-17(15-8-4-3-5-9-15)16-18(24-10-6-7-11-24)19(14(2)26)28-20(16)23-21/h3-11H,12H2,1-2H3