2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-ethanoyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-ethanoyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-acetyl-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-acetyl-2-[[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-acetyl-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-acetyl-2-[[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C16H19N5O3S2 MolecularWeight: 393.48376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=NC3=C(C(=C(S3)C(=O)C)C)C(=O)N2

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=NC3=C(C(=C(S3)C(=O)C)C)C(=O)N2

InChI

InChI=1S/C16H19N5O3S2/c1-4-5-6-21-15(24)19-20-16(21)25-7-10-17-13(23)11-8(2)12(9(3)22)26-14(11)18-10/h4-7H2,1-3H3,(H,19,24)(H,17,18,23)