5,6-dimethyl-2-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-[(2-nitro-4-pyrrolidinosulfonyl-phenoxy)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C19H20N4O6S2 MolecularWeight: 464.5153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)COC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)COC3=C(C=C(C=C3)S(=O)(=O)N4CCCC4)[N+](=O)[O-])C

InChI

InChI=1S/C19H20N4O6S2/c1-11-12(2)30-19-17(11)18(24)20-16(21-19)10-29-15-6-5-13(9-14(15)23(25)26)31(27,28)22-7-3-4-8-22/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,20,21,24)