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

Systemtic Name: 2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C20H20N6OS2 MolecularWeight: 424.5424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC4=NC(=O)C5=C(N4)C=CS5

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC4=NC(=O)C5=C(N4)C=CS5

InChI

InChI=1S/C20H20N6OS2/c27-18-17-15(9-12-28-17)21-16(22-18)13-29-20-24-23-19(25-10-5-2-6-11-25)26(20)14-7-3-1-4-8-14/h1,3-4,7-9,12H,2,5-6,10-11,13H2,(H,21,22,27)