6-ethanoyl-5-methyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-ethanoyl-5-methyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-acetyl-5-methyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-acetyl-5-methyl-2-[(2-pyrimidinylthio)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-acetyl-5-methyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-acetyl-5-methyl-2-[(2-pyrimidylthio)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C14H12N4O2S2 MolecularWeight: 332.40068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NC=CC=N3)C(=O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NC=CC=N3)C(=O)C

InChI

InChI=1S/C14H12N4O2S2/c1-7-10-12(20)17-9(6-21-14-15-4-3-5-16-14)18-13(10)22-11(7)8(2)19/h3-5H,6H2,1-2H3,(H,17,18,20)