3,5,6-trimethyl-2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3,5,6-trimethyl-2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3,5,6-trimethyl-2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3,5,6-trimethyl-2-[(2-methyl-3-nitrophenyl)methylthio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3,5,6-trimethyl-2-[(2-methyl-3-nitrophenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3,5,6-trimethyl-2-[(2-methyl-3-nitro-benzyl)thio]thieno[2,3-d]pyrimidin-4-one Formula: C17H17N3O3S2 MolecularWeight: 375.46518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=C(C(=CC=C3)[N+](=O)[O-])C)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=C(C(=CC=C3)[N+](=O)[O-])C)C)C

InChI

InChI=1S/C17H17N3O3S2/c1-9-11(3)25-15-14(9)16(21)19(4)17(18-15)24-8-12-6-5-7-13(10(12)2)20(22)23/h5-7H,8H2,1-4H3