3-phenyl-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-phenyl-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-phenyl-2-[3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-phenyl-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-phenyl-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-phenyl-2-[3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propylthio]thieno[2,3-d]pyrimidin-4-one Formula: C22H17N5O2S2 MolecularWeight: 447.53268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCCCC4=NC(=NO4)C5=CC=NC=C5)SC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCCCC4=NC(=NO4)C5=CC=NC=C5)SC=C3

InChI

InChI=1S/C22H17N5O2S2/c28-21-17-10-14-30-20(17)25-22(27(21)16-5-2-1-3-6-16)31-13-4-7-18-24-19(26-29-18)15-8-11-23-12-9-15/h1-3,5-6,8-12,14H,4,7,13H2