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

Systemtic Name: 5,6-dimethyl-2-[(2-phenyl-1,2,3-triazol-4-yl)methylsulfanyl]-3-propan-2-yl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-isopropyl-5,6-dimethyl-2-[(2-phenyltriazol-4-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[(2-phenyl-4-triazolyl)methylthio]-3-propan-2-yl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5,6-dimethyl-2-[(2-phenyltriazol-4-yl)methylsulfanyl]-3-propan-2-ylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-isopropyl-5,6-dimethyl-2-[(2-phenyltriazol-4-yl)methylthio]thieno[2,3-d]pyrimidin-4-one Formula: C20H21N5OS2 MolecularWeight: 411.54364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5OS2/c1-12(2)24-19(26)17-13(3)14(4)28-18(17)22-20(24)27-11-15-10-21-25(23-15)16-8-6-5-7-9-16/h5-10,12H,11H2,1-4H3