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

Systemtic Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H19N5OS2 MolecularWeight: 421.53846

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCC4=NC5=C(C(=CS5)C6=CC=CC=C6)C(=O)N4

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCC4=NC5=C(C(=CS5)C6=CC=CC=C6)C(=O)N4

InChI

InChI=1S/C21H19N5OS2/c27-19-17-15(12-4-2-1-3-5-12)10-28-20(17)23-16(22-19)11-29-21-25-24-18(13-6-7-13)26(21)14-8-9-14/h1-5,10,13-14H,6-9,11H2,(H,22,23,27)