5,6-dimethyl-2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-3-propan-2-yl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-3-propan-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-isopropyl-5,6-dimethyl-2-[(5-phenylisoxazol-3-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[(5-phenyl-3-isoxazolyl)methylthio]-3-propan-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5,6-dimethyl-2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-isopropyl-5,6-dimethyl-2-[(5-phenylisoxazol-3-yl)methylthio]thieno[2,3-d]pyrimidin-4-one Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=NOC(=C3)C4=CC=CC=C4)C(C)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=NOC(=C3)C4=CC=CC=C4)C(C)C)C

InChI

InChI=1S/C21H21N3O2S2/c1-12(2)24-20(25)18-13(3)14(4)28-19(18)22-21(24)27-11-16-10-17(26-23-16)15-8-6-5-7-9-15/h5-10,12H,11H2,1-4H3