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

Systemtic Name: 2-[(5-azanyl-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-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-acetyl-2-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-acetyl-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-acetyl-2-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C12H12N6O2S2 MolecularWeight: 336.39268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N6O2S2/c1-4-7-9(20)14-6(3-21-12-16-11(13)17-18-12)15-10(7)22-8(4)5(2)19/h3H2,1-2H3,(H,14,15,20)(H3,13,16,17,18)