2-(1,3-benzoxazol-2-ylsulfanylmethyl)-6-ethanoyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanylmethyl)-6-ethanoyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-acetyl-2-(1,3-benzoxazol-2-ylsulfanylmethyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-acetyl-2-[(1,3-benzoxazol-2-ylthio)methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-acetyl-2-(1,3-benzoxazol-2-ylsulfanylmethyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-acetyl-2-[(1,3-benzoxazol-2-ylthio)methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H13N3O3S2 MolecularWeight: 371.43342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NC4=CC=CC=C4O3)C(=O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NC4=CC=CC=C4O3)C(=O)C

InChI

InChI=1S/C17H13N3O3S2/c1-8-13-15(22)19-12(20-16(13)25-14(8)9(2)21)7-24-17-18-10-5-3-4-6-11(10)23-17/h3-6H,7H2,1-2H3,(H,19,20,22)