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

Systemtic Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H19N5OS2 MolecularWeight: 409.52776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NN(C(=N3)C4CC4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NN(C(=N3)C4CC4)C5=CC=CC=C5)C

InChI

InChI=1S/C20H19N5OS2/c1-11-12(2)28-19-16(11)18(26)21-15(22-19)10-27-20-23-17(13-8-9-13)25(24-20)14-6-4-3-5-7-14/h3-7,13H,8-10H2,1-2H3,(H,21,22,26)