3-[3-(3-nitrophenoxy)-2-oxidanyl-propyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[3-(3-nitrophenoxy)-2-oxidanyl-propyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-hydroxy-3-(3-nitrophenoxy)propyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-hydroxy-3-(3-nitrophenoxy)propyl]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-hydroxy-3-(3-nitrophenoxy)propyl]-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-hydroxy-3-(3-nitrophenoxy)propyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(COC4=CC=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(COC4=CC=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C21H17N3O5S/c25-16(11-29-17-8-4-7-15(9-17)24(27)28)10-23-13-22-20-19(21(23)26)18(12-30-20)14-5-2-1-3-6-14/h1-9,12-13,16,25H,10-11H2