2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-phenyl-5-(phenylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-phenyl-5-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 5-benzyl-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-6-phenyl-1H-pyrimidin-4-one CAS Name: 2-[(4-methoxy-3-nitrophenyl)methylthio]-6-phenyl-5-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 5-benzyl-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-6-phenyl-1H-pyrimidin-4-one Traditional Name: 5-benzyl-2-[(4-methoxy-3-nitro-benzyl)thio]-6-phenyl-1H-pyrimidin-4-one Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H21N3O4S/c1-32-22-13-12-18(15-21(22)28(30)31)16-33-25-26-23(19-10-6-3-7-11-19)20(24(29)27-25)14-17-8-4-2-5-9-17/h2-13,15H,14,16H2,1H3,(H,26,27,29)