2-[3-(3-nitrophenoxy)propylsulfanyl]-6-phenyl-1H-pyrimidin-4-one

Systemtic Name: 2-[3-(3-nitrophenoxy)propylsulfanyl]-6-phenyl-1H-pyrimidin-4-one Openeye Name: 2-[3-(3-nitrophenoxy)propylsulfanyl]-6-phenyl-1H-pyrimidin-4-one CAS Name: 2-[3-(3-nitrophenoxy)propylthio]-6-phenyl-1H-pyrimidin-4-one IUPAC Name: 2-[3-(3-nitrophenoxy)propylsulfanyl]-6-phenyl-1H-pyrimidin-4-one Traditional Name: 2-[3-(3-nitrophenoxy)propylthio]-6-phenyl-1H-pyrimidin-4-one Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCCCOC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCCCOC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O4S/c23-18-13-17(14-6-2-1-3-7-14)20-19(21-18)27-11-5-10-26-16-9-4-8-15(12-16)22(24)25/h1-4,6-9,12-13H,5,10-11H2,(H,20,21,23)