3-ethyl-5,6-dimethyl-2-[(2R)-3-(3-nitrophenoxy)-2-oxidanyl-propyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-ethyl-5,6-dimethyl-2-[(2R)-3-(3-nitrophenoxy)-2-oxidanyl-propyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-ethyl-2-[(2R)-2-hydroxy-3-(3-nitrophenoxy)propyl]sulfanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-ethyl-2-[[(2R)-2-hydroxy-3-(3-nitrophenoxy)propyl]thio]-5,6-dimethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-ethyl-2-[(2R)-2-hydroxy-3-(3-nitrophenoxy)propyl]sulfanyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-ethyl-2-[[(2R)-2-hydroxy-3-(3-nitrophenoxy)propyl]thio]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC(COC3=CC=CC(=C3)[N+](=O)[O-])O)SC(=C2C)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SC[C@@H](COC3=CC=CC(=C3)[N+](=O)[O-])O)SC(=C2C)C

InChI

InChI=1S/C19H21N3O5S2/c1-4-21-18(24)16-11(2)12(3)29-17(16)20-19(21)28-10-14(23)9-27-15-7-5-6-13(8-15)22(25)26/h5-8,14,23H,4,9-10H2,1-3H3/t14-/m1/s1