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

Systemtic Name: 6-methyl-5-(2-methylbutyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-5-(2-methylbutyl)-2-[(3-methylisoxazol-5-yl)methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-5-(2-methylbutyl)-2-[(3-methyl-5-isoxazolyl)methylthio]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-methyl-5-(2-methylbutyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-methyl-5-(2-methylbutyl)-2-[(3-methylisoxazol-5-yl)methylthio]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H21N3O2S2 MolecularWeight: 363.49754

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)SCC3=CC(=NO3)C)C

Isomeric SMILES

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)SCC3=CC(=NO3)C)C

InChI

InChI=1S/C17H21N3O2S2/c1-5-9(2)6-13-11(4)24-16-14(13)15(21)18-17(19-16)23-8-12-7-10(3)20-22-12/h7,9H,5-6,8H2,1-4H3,(H,18,19,21)