5,6-dimethyl-2-[(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[[2-nitro-4-(1-piperidylsulfonyl)phenyl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[[2-nitro-4-(1-piperidinylsulfonyl)phenyl]thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[(2-nitro-4-piperidin-1-ylsulfonylphenyl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[[(2-nitro-4-piperidinosulfonyl-phenyl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H22N4O5S3 MolecularWeight: 494.60748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-])C

InChI

InChI=1S/C20H22N4O5S3/c1-12-13(2)31-20-18(12)19(25)21-17(22-20)11-30-16-7-6-14(10-15(16)24(26)27)32(28,29)23-8-4-3-5-9-23/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,21,22,25)