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

Systemtic Name: 5-(4-methylphenyl)-3-[3-(3-nitrophenoxy)-2-oxidanyl-propyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-hydroxy-3-(3-nitrophenoxy)propyl]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-hydroxy-3-(3-nitrophenoxy)propyl]-5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-hydroxy-3-(3-nitrophenoxy)propyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-hydroxy-3-(3-nitrophenoxy)propyl]-5-(p-tolyl)thieno[2,3-d]pyrimidin-4-one Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(COC4=CC=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(COC4=CC=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C22H19N3O5S/c1-14-5-7-15(8-6-14)19-12-31-21-20(19)22(27)24(13-23-21)10-17(26)11-30-18-4-2-3-16(9-18)25(28)29/h2-9,12-13,17,26H,10-11H2,1H3