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

Systemtic Name: 2-[(5-cyclopropyl-4-phenyl-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-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-acetyl-2-[[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-acetyl-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-acetyl-2-[[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H19N5O2S2 MolecularWeight: 437.53786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NN=C(N3C4=CC=CC=C4)C5CC5)C(=O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NN=C(N3C4=CC=CC=C4)C5CC5)C(=O)C

InChI

InChI=1S/C21H19N5O2S2/c1-11-16-19(28)22-15(23-20(16)30-17(11)12(2)27)10-29-21-25-24-18(13-8-9-13)26(21)14-6-4-3-5-7-14/h3-7,13H,8-10H2,1-2H3,(H,22,23,28)