6-ethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-phenethyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-ethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-phenethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-ethyl-2-[(5-methylisoxazol-3-yl)methylsulfanyl]-3-phenethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-ethyl-2-[(5-methyl-3-isoxazolyl)methylthio]-3-phenethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-ethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-phenethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 6-ethyl-2-[(5-methylisoxazol-3-yl)methylthio]-3-phenethyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)SCC4=NOC(=C4)C

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CCC3=CC=CC=C3)SCC4=NOC(=C4)C

InChI

InChI=1S/C21H21N3O2S2/c1-3-17-12-18-19(28-17)22-21(27-13-16-11-14(2)26-23-16)24(20(18)25)10-9-15-7-5-4-6-8-15/h4-8,11-12H,3,9-10,13H2,1-2H3